CF₃LiO₃S

CF₃LiO₃S

Tremayne, M.Lightfoot, P.Mehta, M. A.Bruce, P. G.Harris, K. D. M.Shankland, K.Gilmore, C. J.Bricogne, G.

Journal of Solid State Chemistry (1992) 100, 191-196

a=10.2432(2)Å   b=5.0591(1)Å   c=9.5592(3)Å

α=90.°   β=90.319(2)°   γ=90.°

C₂₇H₂₆N₂O₆S

C₂₇H₂₆N₂O₆S

Rajkumar, SundaramShankland, KennethGoodman, Jonathan M.Cobb, Alexander J. A.

Organic letters (2013) 15, 6 1386-1389

a=6.945(3)Å   b=17.2536(5)Å   c=20.6291(10)Å

α=90.00°   β=90.00°   γ=90.00°

(+)-Ethyl (2R,4S-dinitro-3R-phenyl-1S-cyclohexyl) acetate

C₁₆H₂₀N₂O₆

Rajkumar, SundaramShankland, KennethBrown, Geoffrey D.Cobb, Alexander J. A.

Chemical Science (2012) 3, 2 584

a=7.95486(5)Å   b=10.00542(6)Å   c=20.80472(17)Å

α=90.0°   β=90.0°   γ=90.0°

Ethyl 2(R)-[3(R)-(4'-methoxy-phenyl)-2(R),4(S)-dinitro-1(R)cyclohexyl] propanoate

C₁₈H₂₄N₂O₇

Rajkumar, SundaramShankland, KennethBrown, Geoffrey D.Cobb, Alexander J. A.

Chemical Science (2012) 3, 2 584

a=5.5811(5)Å   b=12.5943(15)Å   c=26.723(4)Å

α=90.00°   β=90.00°   γ=90.00°

Ethyl 2-[(1S,2R,3R,4S)-2-methyl-2,4-dinitro-3- phenylcyclohexyl]acetate

C₁₇H₂₂N₂O₆

Rajkumar, SundaramShankland, KennethBrown, Geoffrey D.Cobb, Alexander J. A.

Chemical Science (2012) 3, 2 584

a=10.1928(5)Å   b=6.6518(4)Å   c=12.7044(6)Å

α=90.00°   β=93.098(5)°   γ=90.00°

Ethyl (2R)-2-[(1R,2R,3R,4S)-3-(4-methoxyphenyl)- 2,4-dinitrocyclohexyl]propanoate

C₁₈H₂₄N₂O₇

Rajkumar, SundaramShankland, KennethBrown, Geoffrey D.Cobb, Alexander J. A.

Chemical Science (2012) 3, 2 584

a=12.8847(13)Å   b=5.6274(5)Å   c=25.767(2)Å

α=90.00°   β=92.776(9)°   γ=90.00°

C₅H₁₀

C₅H₁₀

Torrisi, AntonioLeech, Charlotte K.Shankland, KennethDavid, William I. F.Ibberson, Richard M.Benet-Buchholz, JordiBoese, RolandLeslie, MauriceCatlow, C Richard APrice, Sarah L.

The journal of physical chemistry. B (2008) 112, 12 3746-3758

a=9.578(5)Å   b=5.328(2)Å   c=10.018(2)Å

α=90.00°   β=113.12(3)°   γ=90.00°

Zopiclone

C₁₇ClN₆O₃

Shankland, N.David, W. I.Shankland, K.Kennedy, A. R.Frampton, C. S.Florence, A. J.

Chemical communications (Cambridge, England) (2001) 21 2204-2205

a=15.2023(4)Å   b=7.1510(1)Å   c=17.6577(3)Å

α=90.0°   β=111.213(1)°   γ=90.0°

Zopiclone dihydrate

C₁₇ClN₆O_3,2(O)

Shankland, N.David, W. I.Shankland, K.Kennedy, A. R.Frampton, C. S.Florence, A. J.

Chemical communications (Cambridge, England) (2001) 21 2204-2205

a=16.4834(1)Å   b=7.1465(1)Å   c=17.4026(1)Å

α=90.0°   β=109.8065(4)°   γ=90.0°

Zopiclone

C₁₇ClN₆O₃

Shankland, N.David, W. I.Shankland, K.Kennedy, A. R.Frampton, C. S.Florence, A. J.

Chemical communications (Cambridge, England) (2001) 21 2204-2205

a=5.5813(1)Å   b=8.8467(1)Å   c=35.6588(3)Å

α=90.0°   β=90.0°   γ=90.0°

Zopiclone

C₁₇H₁₇ClN₆O₃

Shankland, N.David, W. I.Shankland, K.Kennedy, A. R.Frampton, C. S.Florence, A. J.

Chemical communications (Cambridge, England) (2001) 21 2204-2205

a=5.50540(10)Å   b=8.7686(2)Å   c=35.5277(7)Å

α=90.00°   β=90.00°   γ=90.00°

Zopiclone

C₁₇H₁₇ClN₆O₃

Shankland, N.David, W. I.Shankland, K.Kennedy, A. R.Frampton, C. S.Florence, A. J.

Chemical communications (Cambridge, England) (2001) 21 2204-2205

a=5.50230(10)Å   b=8.7676(2)Å   c=35.5314(7)Å

α=90.00°   β=90.00°   γ=90.00°

Zopiclone dihydrate

C₁₇H₂₁ClN₆O₅

Shankland, N.David, W. I.Shankland, K.Kennedy, A. R.Frampton, C. S.Florence, A. J.

Chemical communications (Cambridge, England) (2001) 21 2204-2205

a=16.374(4)Å   b=7.030(3)Å   c=17.185(2)Å

α=90°   β=108.62(1)°   γ=90°

(3'aR,6'R,6'aR,7R)-2',2'-dimethyl-octahydro-3'aH-spiro[[1,2,3]triazolo[4,3-c][1,4]oxazine-7,4'-furo[3,4-d][1,3]dioxol]-6'-ylmethanol

C₁₂H₁₇N₃O₅

Cobb, Alexander J. A.Dell’Isola, AntonioAbdulsattar, Ban O.McLachlan, Matthew M. W.Neuman, Benjamin W.Müller, ChristinShankland, KennethAl-Mulla, Hawaa M. N.Binks, Alexander W. D.Elvidge, Warren

New Journal of Chemistry (2018) 42, 22 18363

a=6.596(5)Å   b=8.066(5)Å   c=24.761(5)Å

α=90°   β=90°   γ=90°

((6R,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl)(λ^3^-oxidaneylidyne)(p-tolyl)-λ^7^-sulfanone

C₁₄H₁₉NO₆S

Cobb, Alexander J. A.Dell’Isola, AntonioAbdulsattar, Ban O.McLachlan, Matthew M. W.Neuman, Benjamin W.Müller, ChristinShankland, KennethAl-Mulla, Hawaa M. N.Binks, Alexander W. D.Elvidge, Warren

New Journal of Chemistry (2018) 42, 22 18363

a=13.1956(3)Å   b=5.6323(2)Å   c=20.3477(5)Å

α=90°   β=91.524(2)°   γ=90°

C₇H₇N₃O₄

C₇H₇N₃O₄

Graham, DuncanKennedy, Alan R.McHugh, Callum J.Smith, W. EwenDavid, William I. F.Shankland, KennethShankland, Norman

New Journal of Chemistry (2004) 28, 1 161

a=8.0136(3)Å   b=8.0502(3)Å   c=14.2752(5)Å

α=75.097(2)°   β=74.059(2)°   γ=78.453(2)°

C₇H₇N₃O₅

C₇H₇N₃O₅

Graham, DuncanKennedy, Alan R.McHugh, Callum J.Smith, W. EwenDavid, William I. F.Shankland, KennethShankland, Norman

New Journal of Chemistry (2004) 28, 1 161

a=15.0980(4)Å   b=3.9219(1)Å   c=16.4446(5)Å

α=90.00°   β=116.586(2)°   γ=90.00°

C₇H₇N₃O₄

C₇H₇N₃O₄

Graham, DuncanKennedy, Alan R.McHugh, Callum J.Smith, W. EwenDavid, William I. F.Shankland, KennethShankland, Norman

New Journal of Chemistry (2004) 28, 1 161

a=6.7072(5)Å   b=16.0387(11)Å   c=8.1083(5)Å

α=90.00°   β=91.160(4)°   γ=90.00°

Compound 2

C₁₀H₇N

Khan, Muhammad S.Al-Mandhary, Muna R. A.Al-Suti, Mohammed K.Corcoran, Timothy C.Al-Mahrooqi, YaqoubAttfield, J. PaulFeeder, NeilDavid, William I. F.Shankland, KennethFriend, Richard H.Köhler, AnnaMarseglia, Elisabeth A.Tedesco, EmilioTang, Chiu C.Raithby, Paul R.Collings, Jonathan C.Roscoe, Karl P.Batsanov, Andrei S.Stimson, Lorna M.Marder, Todd B.

New Journal of Chemistry (2003) 27, 1 140

a=5.9188(17)Å   b=12.030(4)Å   c=11.026(3)Å

α=90.00°   β=104.17(2)°   γ=90.00°

Compound 3

C₁₀H₅F

Khan, Muhammad S.Al-Mandhary, Muna R. A.Al-Suti, Mohammed K.Corcoran, Timothy C.Al-Mahrooqi, YaqoubAttfield, J. PaulFeeder, NeilDavid, William I. F.Shankland, KennethFriend, Richard H.Köhler, AnnaMarseglia, Elisabeth A.Tedesco, EmilioTang, Chiu C.Raithby, Paul R.Collings, Jonathan C.Roscoe, Karl P.Batsanov, Andrei S.Stimson, Lorna M.Marder, Todd B.

New Journal of Chemistry (2003) 27, 1 140

a=3.8780(11)Å   b=5.9470(12)Å   c=15.800(5)Å

α=90.00°   β=93.46(3)°   γ=90.00°

Compound 4

C₁₀H₄F₂

Khan, Muhammad S.Al-Mandhary, Muna R. A.Al-Suti, Mohammed K.Corcoran, Timothy C.Al-Mahrooqi, YaqoubAttfield, J. PaulFeeder, NeilDavid, William I. F.Shankland, KennethFriend, Richard H.Köhler, AnnaMarseglia, Elisabeth A.Tedesco, EmilioTang, Chiu C.Raithby, Paul R.Collings, Jonathan C.Roscoe, Karl P.Batsanov, Andrei S.Stimson, Lorna M.Marder, Todd B.

New Journal of Chemistry (2003) 27, 1 140

a=3.8535(7)Å   b=5.9060(10)Å   c=16.221(5)Å

α=90.00°   β=95.23(3)°   γ=90.00°

Compound 5

C₁₀H₂F₄

Khan, Muhammad S.Al-Mandhary, Muna R. A.Al-Suti, Mohammed K.Corcoran, Timothy C.Al-Mahrooqi, YaqoubAttfield, J. PaulFeeder, NeilDavid, William I. F.Shankland, KennethFriend, Richard H.Köhler, AnnaMarseglia, Elisabeth A.Tedesco, EmilioTang, Chiu C.Raithby, Paul R.Collings, Jonathan C.Roscoe, Karl P.Batsanov, Andrei S.Stimson, Lorna M.Marder, Todd B.

New Journal of Chemistry (2003) 27, 1 140

a=5.7642(9)Å   b=11.4632(18)Å   c=6.1120(10)Å

α=90.00°   β=99.27(2)°   γ=90.00°

C₁₄H₂₅ClN₂

C₁₄H₂₅ClN₂

Attfield, J.Cole, J.C.Cox, P.J.Maginn, S.J.Motherwell, W.D.S.Nowell, H.Shankland, K.

New Journal of Chemistry (2002)

a=7.40022(11)Å   b=8.56690(15)Å   c=13.69231(32)Å

α=106.2107(14)°   β=90.8532(11)°   γ=98.7783(12)°

C₅₂H₄₈N₂O₄

C₅₂H₄₈N₂O₄

Monika WarzechaJesus Calvo-CastroAlan R. KennedyAlisdair N. MacphersonKenneth ShanklandNorman ShanklandAndrew J. McLeanCallum J. McHugh

Chem.Commun. (2015) 51, 1143

a=20.5116(14)Å   b=5.1146(4)Å   c=21.4898(15)Å

α=90.00°   β=116.490(2)°   γ=90.00°

Dimethyl (2S,3R)-3-(3-bromophenyl)-2-cyano-2-(phenylsulfonyl)cyclopropane-1,1-dicarboxylate

C₂₀H₁₆BrNO₆S

Lewis S. AitkenLisa E. HammondRajkumar SundaramKenneth ShanklandGeoffrey D. BrownAlexander J. A. Cobb

Chem.Commun. (2015) 51, 13558

a=8.30101(10)Å   b=10.28989(17)Å   c=23.4389(3)Å

α=90.0°   β=90.0°   γ=90.0°

N,N'-diphenyl-N,N'-bis(4,4'-methylphenyl)-[(1,1'-biphenyl)]-4,4'-diamine

C₃₈H₃₂N₂

Kennedy, Alan R.Smith, W. EwenTackley, Daniel R.David, William I. F.Shankland, KennethBrown, BevTeat, Simon J.

Journal of Materials Chemistry (2002) 12, 2 168

a=20.9674(3)Å   b=14.5059(2)Å   c=10.9862(1)Å

α=90.0°   β=117.825(2)°   γ=90.0°

5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)

0.5(C₁₅H₁₂N₂O₁)_,0.5(C₁₅H₁₄N₂O₁)

Florence, A. J.Leech, C. K.Shankland, N.Shankland, K.Johnston, A.

CrystEngComm (2006) 8, 10 746

a=9.088(2)Å   b=10.425(4)Å   c=25.005(7)Å

α=90.00°   β=90.00°   γ=90.00°

C₃₈H₃₂N₂

C₃₈H₃₂N₂

Kennedy, Alan R.Smith, W. EwenTackley, Daniel R.David, William I. F.Shankland, KennethBrown, BevTeat, Simon J.

Journal of Materials Chemistry (2002) 12, 2 168

a=11.068(2)Å   b=14.472(2)Å   c=17.820(3)Å

α=90.00°   β=90.00°   γ=90.00°

Indomethacin Nicotinamide (1/1)

C₁₉H₁₆ClNO_4,C₆H₆N₂O

Majumder, MridulBuckton, GrahamRawlinson-Malone, Clare F.Williams, Adrian C.Spillman, Mark J.Pidcock, ElnaShankland, Kenneth

CrystEngComm (2013) 15, 20 4041

a=17.1980(8)Å   b=5.0156(2)Å   c=27.3815(15)Å

α=90°   β=97.311(2)°   γ=90°

10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide

C₁₆H₁₅NO

Florence, A. J.Shankland, K.Gelbrich, T.Hursthouse, M. B.Shankland, N.Johnston, A.Fernandes, P.Leech, C. K.

CrystEngComm (2008) 10, 1 26

a=5.6491(1)Å   b=19.5639(4)Å   c=22.0741(5)Å

α=84.2178(13)°   β=88.4073(14)°   γ=83.6001(13)°

7-Fluoroisatin Form I

C₈H₄FNO₂

Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.Price, Sarah L.Shankland, KennethLeech, Charlotte K.

CrystEngComm (2008)

a=3.79560(10)Å   b=11.9933(3)Å   c=14.9907(4)Å

α=90.00°   β=90.631(3)°   γ=90.00°

7-Fluoroisatin Form II

C₈H₄FNO₂

Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.Price, Sarah L.Shankland, KennethLeech, Charlotte K.

CrystEngComm (2008)

a=8.1207(13)Å   b=8.2351(15)Å   c=12.394(4)Å

α=70.87(2)°   β=85.834(17)°   γ=61.023(17)°

7-Fluoroisatin Form III

C₈H₄FNO₂

Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.Price, Sarah L.Shankland, KennethLeech, Charlotte K.

CrystEngComm (2008)

a=7.1988(3)Å   b=12.7677(5)Å   c=14.9468(7)Å

α=90.00°   β=91.702(3)°   γ=90.00°

P-azoxyanisole form II

Janbon, SophieDavey, Roger J.Shankland, Kenneth

CrystEngComm (2008) 10, 3 279

a=14.9227(11)Å   b=4.41484(7)Å   c=10.3539(3)Å

α=90°   β=105.550(3)°   γ=90°

Cytenamide form II

C₁₆H₁₃N₁O₁

Florence, A. J.Bedford, C. T.Fabbiani, F. P. A.Shankland, K.Gelbrich, T.Hursthouse, M. B.Shankland, N.Johnston, A.Fernandes, P.

CrystEngComm (2008) 10, 7 811

a=5.8100(2)Å   b=19.6315(5)Å   c=21.7087(6)Å

α=85.918(2)°   β=86.164(2)°   γ=84.482(2)°

Cytenamide form I

C₁₆H₁₃N₁O₁

Florence, A. J.Bedford, C. T.Fabbiani, F. P. A.Shankland, K.Gelbrich, T.Hursthouse, M. B.Shankland, N.Johnston, A.Fernandes, P.

CrystEngComm (2008) 10, 7 811

a=33.9078(10)Å   b=33.9078(10)Å   c=5.6754(2)Å

α=90°   β=90°   γ=120°

C₇H₇NO_,C₇H₅FO₂

C₇H₇NO_,C₇H₅FO₂

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=8.0544(12)Å   b=6.9420(10)Å   c=22.058(4)Å

α=90°   β=95.990(7)°   γ=90°

C₁₄H₁₂FNO₃

C₁₄H₁₂FNO₃

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=10.046(2)Å   b=10.573(2)Å   c=11.461(2)Å

α=90°   β=91.16(2)°   γ=90°

3-fluorobenzoic acid 4-acetylpyridine

C₁₄H₁₂FNO₃

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=10.105(4)Å   b=10.734(4)Å   c=11.806(4)Å

α=90°   β=91.08(3)°   γ=90°

3-fluorobenzoic acid 4-acetylpyridine

C₁₄H₁₂FNO₃

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=7.9892(15)Å   b=6.9703(14)Å   c=21.947(4)Å

α=90°   β=95.670(12)°   γ=90°

3-fluorobenzoic acid 4-acetylpyridine

C₇H₇NO_,C₇H₅FO₂

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=7.9200(11)Å   b=6.9633(9)Å   c=21.918(4)Å

α=90°   β=95.337(5)°   γ=90°

3-Fluorobenzoic acid--4-acetylpyridine (1/1)

C₇H₅FO_2,C₇H₇NO

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=10.0498(11)Å   b=10.5779(8)Å   c=11.5045(8)Å

α=90°   β=92.026(4)°   γ=90°

C₇H₇NO_,C₇H₅FO₂

C₇H₇NO_,C₇H₅FO₂

Thomas, Lynne H.Craig, Gavin A.Gutmann, Matthias J.Parkin, AndrewShankland, KennethWilson, Chick C.

CrystEngComm (2011) 13, 10 3349

a=10.0714(15)Å   b=10.6513(12)Å   c=11.6320(13)Å

α=90°   β=91.677(5)°   γ=90°

5H-dibenz(b,f)azepine-5-carboxamide 2-(1-((4- chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (1/1)

C₁₅H₁₂N₂O_1,C₁₉H₁₆Cl₁N₁O₄

Majumder, MridulBuckton, GrahamRawlinson-Malone, ClareWilliams, Adrian C.Spillman, Mark J.Shankland, NormanShankland, Kenneth

CrystEngComm (2011) 13, 21 6327

a=10.2447(3)Å   b=29.148(1)Å   c=10.2114(3)Å

α=90°   β=106.636(2)°   γ=90°

Creatine form I

C₄H₉N₃O₂

Arlin, Jean-BaptisteBhardwaj, Rajni M.Johnston, AndreaMiller, Gary J.Bardin, JulieMacDougall, FionaFernandes, PhilippeShankland, KennethDavid, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=11.9450(2)Å   b=9.5273(1)Å   c=5.3438(1)Å

α=90°   β=90°   γ=90°

Creatine form II

C₄H₉N₃O₂

Arlin, Jean-BaptisteBhardwaj, Rajni M.Johnston, AndreaMiller, Gary J.Bardin, JulieMacDougall, FionaFernandes, PhilippeShankland, KennethDavid, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=9.8450(3)Å   b=5.8373(2)Å   c=11.6698(3)Å

α=90°   β=105.723(2)°   γ=90°

Creatine formic acid solvate

C₄H₉N₃O_2,CH₂O₂

Arlin, Jean-BaptisteBhardwaj, Rajni M.Johnston, AndreaMiller, Gary J.Bardin, JulieMacDougall, FionaFernandes, PhilippeShankland, KennethDavid, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=17.4929(14)Å   b=4.7791(4)Å   c=10.1101(8)Å

α=90.00°   β=90.00°   γ=90.00°

Creatine form I

C₄H₉N₃O₂

Arlin, Jean-BaptisteBhardwaj, Rajni M.Johnston, AndreaMiller, Gary J.Bardin, JulieMacDougall, FionaFernandes, PhilippeShankland, KennethDavid, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=11.9450(2)Å   b=9.5273(1)Å   c=5.3438(1)Å

α=90°   β=90°   γ=90°

Creatine form II

C₄H₉N₃O₂

Arlin, Jean-BaptisteBhardwaj, Rajni M.Johnston, AndreaMiller, Gary J.Bardin, JulieMacDougall, FionaFernandes, PhilippeShankland, KennethDavid, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=9.8450(3)Å   b=5.8373(2)Å   c=11.6698(3)Å

α=90°   β=105.723(2)°   γ=90°

Creatine formic acid solvate

C₄H₉N₃O_2,CH₂O₂

Arlin, Jean-BaptisteBhardwaj, Rajni M.Johnston, AndreaMiller, Gary J.Bardin, JulieMacDougall, FionaFernandes, PhilippeShankland, KennethDavid, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=17.4929(14)Å   b=4.7791(4)Å   c=10.1101(8)Å

α=90.00°   β=90.00°   γ=90.00°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.8746(14)Å   b=6.4011(10)Å   c=8.980(3)Å

α=74.05(2)°   β=83.54(2)°   γ=80.468(18)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.835(3)Å   b=6.310(2)Å   c=8.895(7)Å

α=74.62(4)°   β=84.12(5)°   γ=80.67(4)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.760(2)Å   b=6.1455(12)Å   c=8.737(4)Å

α=76.06(3)°   β=84.56(3)°   γ=81.25(2)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.728(2)Å   b=6.0501(14)Å   c=8.684(5)Å

α=76.54(3)°   β=84.73(4)°   γ=81.67(3)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.693(2)Å   b=5.9013(14)Å   c=8.599(5)Å

α=77.48(3)°   β=84.97(4)°   γ=82.35(3)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.676(3)Å   b=5.8115(17)Å   c=8.543(6)Å

α=77.95(4)°   β=85.11(5)°   γ=82.77(4)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.5100(5)Å   b=5.9287(6)Å   c=8.503(3)Å

α=76.528(16)°   β=85.624(17)°   γ=83.203(8)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.4832(4)Å   b=5.8932(4)Å   c=8.465(2)Å

α=76.234(13)°   β=85.836(13)°   γ=83.284(6)°

C₇H₆Cl₁N₃O₄S₂

C₇H₆Cl₁N₃O₄S₂

Oswald, Iain D. H.Lennie, Alistair R.Pulham, Colin R.Shankland, Kenneth

CrystEngComm (2010) 12, 9 2533

a=4.4609(4)Å   b=5.8592(5)Å   c=8.427(2)Å

α=75.991(15)°   β=86.055(14)°   γ=83.349(6)°

C₂₈H₅₂Cu₄I₄N₄

C₂₈H₅₂Cu₄I₄N₄

Mazzeo, Paolo P.Maini, LuciaPetrolati, AlexFattori, ValeriaShankland, KennethBraga, Dario

Dalton transactions (Cambridge, England : 2003) (2014) 43, 25 9448-9455

a=19.7281(6)Å   b=19.7281(6)Å   c=19.7281(6)Å

α=90.00°   β=90.00°   γ=90.00°

C₂₄H₅₂Cu₄I₄N₄

C₂₄H₅₂Cu₄I₄N₄

Mazzeo, Paolo P.Maini, LuciaPetrolati, AlexFattori, ValeriaShankland, KennethBraga, Dario

Dalton transactions (Cambridge, England : 2003) (2014) 43, 25 9448-9455

a=9.9963(7)Å   b=9.9963(7)Å   c=18.114(2)Å

α=90.00°   β=90.00°   γ=90.00°

?5a?

C₂₈H₅₂Cu₄I₄N₄O₄

Mazzeo, Paolo P.Maini, LuciaPetrolati, AlexFattori, ValeriaShankland, KennethBraga, Dario

Dalton transactions (Cambridge, England : 2003) (2014) 43, 25 9448-9455

a=19.9029(2)Å   b=19.9029(2)Å   c=19.9029(2)Å

α=90°   β=90°   γ=90°

C₂₈H₅₂Cu₄I₄N₄O₄

C₂₈H₅₂Cu₄I₄N₄O₄

Mazzeo, Paolo P.Maini, LuciaPetrolati, AlexFattori, ValeriaShankland, KennethBraga, Dario

Dalton transactions (Cambridge, England : 2003) (2014) 43, 25 9448-9455

a=37.444(4)Å   b=12.2662(8)Å   c=20.000(2)Å

α=90.00°   β=113.38(1)°   γ=90.00°

C₂₄H₂₆N₂O₆S

C₂₄H₂₆N₂O₆S

Rajkumar, SundaramShankland, KennethGoodman, Jonathan M.Cobb, Alexander J. A.

Organic letters (2013) 15, 6 1386-1389

a=7.52030(10)Å   b=11.50070(10)Å   c=13.57270(10)Å

α=90.00°   β=100.4960(10)°   γ=90.00°

Αβ-<i>D</i>-Lactose

C₁₂H₂₂O₁₁

Nicholls, DanielElleman, CaroleShankland, NormanShankland, Kenneth

Acta Crystallographica Section C (2019) 75, 7

a=5.0044(3)Å   b=38.6364(14)Å   c=7.6007(4)Å

α=90°   β=106.200(5)°   γ=90°

Tetrachlorobenzene - alpha polymorph

C₆H₂Cl₄

Barnett, Sarah A.Broder, Charlotte K.Shankland, KennethDavid, Bill I. F.Ibberson, RichardTocher, Derek A.

Acta Crystallographica Section B (2006) 62, 2 287-295

a=3.8016(5)Å   b=10.6369(15)Å   c=9.4866(13)Å

α=92.072(2)°   β=98.966(2)°   γ=96.520(2)°

1,2,4,5-tetrachlorobenzene - alpha polymorph

C₆Cl₄D₂

Barnett, Sarah A.Broder, Charlotte K.Shankland, KennethDavid, Bill I. F.Ibberson, RichardTocher, Derek A.

Acta Crystallographica Section B (2006) 62, 2 287-295

a=3.79900(10)Å   b=10.62580(10)Å   c=9.47938(7)Å

α=91.9780(9)°   β=99.058(2)°   γ=96.234(2)°

1,2,4,5-tetrachlorobenzene - beta polymorph

C₆Cl₄D₂

Barnett, Sarah A.Broder, Charlotte K.Shankland, KennethDavid, Bill I. F.Ibberson, RichardTocher, Derek A.

Acta Crystallographica Section B (2006) 62, 2 287-295

a=3.78988(4)Å   b=10.50328(5)Å   c=9.56244(3)Å

α=90°   β=99.7184(6)°   γ=90°

1,2,4,5-tetrachlorobenzene - beta polymorph

C₆Cl₄D₂

Barnett, Sarah A.Broder, Charlotte K.Shankland, KennethDavid, Bill I. F.Ibberson, RichardTocher, Derek A.

Acta Crystallographica Section B (2006) 62, 2 287-295

a=3.85595(5)Å   b=10.61473(6)Å   c=9.59283(4)Å

α=90°   β=99.6884(7)°   γ=90°

1,2,4,5-tetrachlorobenzene - beta polymorph

C₆Cl₄D₂

Barnett, Sarah A.Broder, Charlotte K.Shankland, KennethDavid, Bill I. F.Ibberson, RichardTocher, Derek A.

Acta Crystallographica Section B (2006) 62, 2 287-295

a=3.81117(4)Å   b=10.53867(4)Å   c=9.57198(3)Å

α=90°   β=99.7088(5)°   γ=90°

1,2,4,5-tetrachlorobenzene - alpha polymorph

C₆Cl₄D₂

Barnett, Sarah A.Broder, Charlotte K.Shankland, KennethDavid, Bill I. F.Ibberson, RichardTocher, Derek A.

Acta Crystallographica Section B (2006) 62, 2 287-295

a=3.76062(4)Å   b=10.58794(5)Å   c=9.44562(3)Å

α=92.4066(4)°   β=98.6978(6)°   γ=97.5893(6)°

O-acetoamidobenzoic acid alpha polymorph

C₉H₁₀N₂O₂

Broder, Charlotte K.Barnett, Sarah A.Gutmann, Matthias J.Shankland, KennethWilson, Chick C.

Acta Crystallographica Section B (2006) 62, 5 926-930

a=4.8591(12)Å   b=14.395(3)Å   c=12.250(3)Å

α=90.00°   β=92.151(16)°   γ=90.00°

O-acetoamidobenzoic acid beta polymorph

C₉H₁₀N₂O₂

Broder, Charlotte K.Barnett, Sarah A.Gutmann, Matthias J.Shankland, KennethWilson, Chick C.

Acta Crystallographica Section B (2006) 62, 5 926-930

a=7.7880(10)Å   b=8.972(2)Å   c=12.547(2)Å

α=90.00°   β=101.120(10)°   γ=90.00°

Chlorothiazide

C₇H₆Cl₁N₃O₄S₂

Broder, Charlotte K.Fabbiani, Francesca P. A.Shankland, KennethDavid, Bill I. F.Ibberson, Richard

Acta Crystallographica Section B (2008) 64, 1 101-107

a=4.8499(3)Å   b=6.3694(4)Å   c=8.9106(6)Å

α=74.4010(10)°   β=83.8650(10)°   γ=80.5240(10)°

Hydrochlorothiazide form II

C₇H₈Cl₁N₃O₄S₂

Broder, Charlotte K.Fabbiani, Francesca P. A.Shankland, KennethDavid, Bill I. F.Ibberson, Richard

Acta Crystallographica Section B (2008) 64, 1 101-107

a=9.4855(3)Å   b=8.3325(2)Å   c=15.1201(4)Å

α=90°   β=113.240(3)°   γ=90°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8481(16)Å   b=6.359(2)Å   c=8.900(3)Å

α=74.49(3)°   β=83.90(3)°   γ=80.53(3)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8619(17)Å   b=6.377(2)Å   c=8.926(3)Å

α=74.40(3)°   β=83.93(3)°   γ=80.56(3)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8707(9)Å   b=6.3951(12)Å   c=8.9448(16)Å

α=74.368(16)°   β=83.786(14)°   γ=80.459(15)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8737(9)Å   b=6.4046(13)Å   c=8.9548(16)Å

α=74.324(17)°   β=83.751(15)°   γ=80.449(16)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8786(9)Å   b=6.4126(13)Å   c=8.9665(16)Å

α=74.266(16)°   β=83.693(15)°   γ=80.445(16)°

Famotidine

C₈H₁₅N₇O₂S₃

Shankland, KennethMcBride, Lorraine David, William I. F.Shankland, Norman Steele, Gerald

Journal of Applied Crystallography (2002) 35, 4 443-454

a=17.6547(4)Å   b=5.29320(10)Å   c=18.2590(3)Å

α=90.0°   β=123.5580(10)°   γ=90.0°

N-[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]- 3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylaminium benzoate

C₂₆H₃₁N₂O₅S_2,C₇H₅O₂

Johnston, AndreaFlorence, Alastair J.Shankland, KennethMarkvardsen, AndersShankland, NormanSteele, GeraldCosgrove, Stephen D.

Acta Crystallographica Section E (2004) 60, 10 o1751-o1753

a=7.63122(17)Å   b=13.6673(3)Å   c=15.8058(5)Å

α=84.385(2)°   β=87.4653(19)°   γ=75.7135(13)°

Dibenz[a,c]anthracene

C₂₂H₁₄

Fernandes, PhilippeFlorence, AlastairShankland, Kenneth David, Bill

Acta Crystallographica Section E (2005) 61, 5 o1483-o1485

a=18.2966(5)Å   b=5.06225(10)Å   c=15.7245(4)Å

α=90°   β=104.5574(15)°   γ=90°

3-Azabicyclo[3.3.1]nonane-2,4-dione

C₈H₁₁N₁O₂

Hulme, Ashley TFernandes, PhilippeFlorence, AlastairJohnston, AndreaShankland, Kenneth

Acta Crystallographica Section E (2006) 62, 7 o3046-o3048

a=7.67102(18)Å   b=10.5483(2)Å   c=18.8867(4)Å

α=90°   β=95.5800(12)°   γ=90°

Hydrochlorothiazide form II

C₇H₈ClN₃O₄S₂

Florence, AlastairJohnston, AndreaFernandes, PhilippeShankland, KennethStevens, Howard N. E.Osmundsen, SigrunnMullen, Alexander B.

Acta Crystallographica Section E (2005) 61, 9 o2798-o2800

a=9.4884(5)Å   b=8.3334(4)Å   c=15.1309(7)Å

α=90°   β=113.2087(19)°   γ=90°

Chlorothiazide dimethylformamide solvate

C₇H₆ClN₃O₄S_2,C₃H₇NO

Fernandes, PhilippeFlorence, Alastair J.Shankland, Kenneth Shankland, NormanJohnston, Andrea

Acta Crystallographica Section E (2006) 62, 6 o2216-o2218

a=7.9822(4)Å   b=8.8830(5)Å   c=11.1075(6)Å

α=86.689(3)°   β=75.078(3)°   γ=73.196(3)°

Hydrochlorothiazide--methyl acetate (1/1)

C₇H₈ClN₃O₄S_2,C₃H₆O₂

Florence, Alastair J.Johnston, AndreaShankland, Kenneth

Acta Crystallographica Section E (2005) 61, 9 o2974-o2977

a=9.39703(16)Å   b=7.28424(16)Å   c=21.9483(3)Å

α=90°   β=95.8020(11)°   γ=90°

(R)-1-phenylethylammonium (R)-2-phenylbutyrate

C₈H₁₂N_,C₁₀H₁₁O₂

Fernandes, PhilippeFlorence, AlastairShankland, Kenneth Karamertzanis, PanosHulme, Ashley TAnandamanoharan, Parathay

Acta Crystallographica Section E (2007) 63, 1 o247-o249

a=6.06200(10)Å   b=16.7794(3)Å   c=16.8881(4)Å

α=90°   β=90°   γ=90°

2(C₁₀H₉N₁O₂)_,C₆H₆O₂

2(C₁₀H₉N₁O₂)_,C₆H₆O₂

Moreno-Fuquen, RodolfoShankland, KennethFabbiani, Francesa P. A.

Acta Crystallographica Section E (2007) 63, 6 o2891-o2891

a=7.8841(19)Å   b=8.480(2)Å   c=9.887(3)Å

α=95.72(2)°   β=109.85(3)°   γ=113.50(2)°

7-Fluoroisatin--1,4-dioxane (1/1)

C₁₂H₁₂FNO₄

Shankland, KennethLeech, Charlotte K.Mohamed, SharmarkeBarnett, Sarah A.Tocher, Derek A.

Acta Crystallographica Section E (2007) 63, 8 o3574-o3574

a=11.5274(3)Å   b=8.6508(2)Å   c=12.1738(4)Å

α=90°   β=106.701(3)°   γ=90°

Trichlormethiazide

C₈H₈Cl₃N₃O₄S₂

Fernandes, PhilippeLeech, Charlotte K.Johnston, AndreaShankland, KennethDavid, William I. F.Shankland, NormanFlorence, Alastair J.

Acta Crystallographica Section E (2007) 63, 9 o3685-o3685

a=8.7881(2)Å   b=9.7924(2)Å   c=15.8527(3)Å

α=90.00°   β=90.00°   γ=90.00°

Carbamazepine trifluoroacetic acid solvate

C₁₅H₁₂N₂O_,C₂HF₃O₂

Fernandes, PhilippeBardin, JulieJohnston, AndreaFlorence, Alastair J.Leech, Charlotte K.David, William I. F.Shankland, Kenneth

Acta Crystallographica Section E (2007) 63, 11 o4269-o4269

a=15.0142(4)Å   b=5.28710(10)Å   c=20.2489(6)Å

α=90.00°   β=101.735(3)°   γ=90.00°

Urea DMF solvate (3/1)

C₃H₇NO_,3(CH₄N₂O)

Fernandes, PhilippeFlorence, Alastair J.Fabbiani, FrancescaDavid, William I. F.Shankland, Kenneth

Acta Crystallographica Section E (2007) 63, 12 o4861-o4861

a=7.5246(13)Å   b=9.866(4)Å   c=10.821(4)Å

α=65.61(4)°   β=79.43(2)°   γ=70.76(2)°

Cytenamide acetic acid solvate

C₁₆H₁₃NO_,C₂H₄O₂

Johnston, AndreaFlorence, Alastair J.Fabianni, Francesca J. A.Shankland, KennethBedford, Colin T.

Acta Crystallographica Section E (2008) 64, 6 o1175-o1176

a=5.8726(17)Å   b=14.418(3)Å   c=18.182(4)Å

α=90°   β=95.13(2)°   γ=90°

10,11-Dihydrocarbamazepine--dimethyl sulfoxide (1/1)

C₁₅H₁₄N₂O_1,C₂H₆OS

Johnston, AndreaFlorence, Alastair J.Shankland, KennethLeech, Charlotte K.Shankland, NormanFernandes, Philippe

Acta Crystallographica Section E (2007) 63, 9 o3918-o3919

a=10.2696(3)Å   b=6.8543(2)Å   c=23.3599(6)Å

α=90.00°   β=98.932(2)°   γ=90.00°

Dihydrocarbamazepine Form III

C₁₅H₁₄N₂O₁

Leech, Charlotte K.Florence, Alastair J.Shankland, KennethShankland, NormanJohnston, Andrea

Acta Crystallographica Section E (2007) 63, 2 o675-o677

a=5.4233(12)Å   b=9.200(5)Å   c=24.189(6)Å

α=87.59(3)°   β=84.23(2)°   γ=88.93(3)°

3-azabicyclo[3.3.1]nonane-2,4-dione 1-methylnaphthalene hemisolvate

C₈H₁₁NO_2,0.5C₁₁H₁₀

Hulme, Ashley TFernandes, PhilippeFlorence, AlastairJohnston, AndreaShankland, Kenneth

Acta Crystallographica Section E (2006) 62, 9 o3752-o3754

a=15.02360(18)Å   b=7.32295(12)Å   c=22.5164(3)Å

α=90°   β=106.0201(6)°   γ=90°

Hydroflumethiazide dimethylsulfoxide disolvate

C₈H₈F₃N₃O₄S_2,2C₂H₆OS

Fernandes, PhilippeJohnston, AndreaLeech, Charlotte K.Shankland, KennethDavid, William I. F.Florence, Alastair J.

Acta Crystallographica Section E (2007) 63, 10 o3956-o3956

a=5.55700(10)Å   b=20.8433(4)Å   c=17.4142(3)Å

α=90.00°   β=93.540(2)°   γ=90.00°

Urea--dimethylacetamide

C₄H₉NO_,CH₄N₂O

Fernandes, PhilippeFlorence, Alastair J.Fabbiani, FrancescaDavid, William I. F.Shankland, Kenneth

Acta Crystallographica Section E (2008) 64, 2 o355-o355

a=7.2770(3)Å   b=17.5394(9)Å   c=7.3789(4)Å

α=90°   β=119.450(3)°   γ=90°

Triphenylphosphine oxide--hydroquinone (1/1)

C₁₈H₁₅OP_,C₆H₆O₂

Moreno-Fuquen, RodolfoValderrama-N, JaimeShankland, KennethFabbiani, Francesa P. A.Markvardsen, Anders J.

Acta Crystallographica Section E (2008) 64, 2 o367-o367

a=8.927(4)Å   b=9.3576(10)Å   c=14.459(4)Å

α=71.157(7)°   β=73.826(6)°   γ=62.83(2)°