Structures published

Total: 188

C₄₆H₃₈O₈

Wang, Zhihan Randazzo, Katelyn Hou, Xiaodong Simpson, Jeffrey Struppe, Jochem Ugrinov, Angel Kastern, Brent Wysocki, Erin Chu, Qianli R.

Macromolecules (2015) 48, 9 2894

a=5.8035(6)Å b=12.8761(15)Å c=13.1702(13)Å

α=66.778(4)° β=82.336(5)° γ=86.696(5)°

0.5(C₁₈H₁₆O₄)_,C_9.01H_9.01O₂

Wang, Zhihan Randazzo, Katelyn Hou, Xiaodong Simpson, Jeffrey Struppe, Jochem Ugrinov, Angel Kastern, Brent Wysocki, Erin Chu, Qianli R.

Macromolecules (2015) 48, 9 2894

a=15.7822(6)Å b=5.6013(2)Å c=16.2750(5)Å

α=90° β=99.255(3)° γ=90°

2(C₁₈H₁₄O₄)_,4(C₂H₉N₂)_,2(H₂O)

Wang, Zhihan Randazzo, Katelyn Hou, Xiaodong Simpson, Jeffrey Struppe, Jochem Ugrinov, Angel Kastern, Brent Wysocki, Erin Chu, Qianli R.

Macromolecules (2015) 48, 9 2894

a=9.2260(3)Å b=20.5019(8)Å c=24.2730(9)Å

α=90° β=96.1320(10)° γ=90°

C₅₄H₄₆O₈

Wang, Zhihan Randazzo, Katelyn Hou, Xiaodong Simpson, Jeffrey Struppe, Jochem Ugrinov, Angel Kastern, Brent Wysocki, Erin Chu, Qianli R.

Macromolecules (2015) 48, 9 2894

a=5.8334(2)Å b=14.4688(5)Å c=14.4800(5)Å

α=119.6010(10)° β=90.053(2)° γ=95.149(2)°

(Z)-1,2-Bis(3-bromophenyl)diazene 1-oxide

C₁₂H₈Br₂N₂O

Goswami, Shailesh K.Hanton, Lyall R.McAdam, C. John Moratti, Stephen C.Simpson, Jim

IUCrData (2018) 3, 10 x181486

a=3.8938(2)Å b=5.8223(3)Å c=25.8645(16)Å

α=90° β=92.044(5)° γ=90°

Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)

C₃₂H₄₄CoN₆O₄S₂

Nithya, Palanivelu Govindarajan, Subbiah Simpson, Jim

IUCrData (2019) 4, 6 x190812

a=23.194(3)Å b=9.8250(10)Å c=16.475(2)Å

α=90° β=106.154(13)° γ=90°

5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate

C₁₅H₁₂N₂OS_,C₂H₆OS

Aziz, Hamid Saeed, Aamer Simpson, Jim

IUCrData (2018) 3, 7 x181010

a=7.3167(2)Å b=15.5894(4)Å c=15.5627(3)Å

α=90° β=101.820(2)° γ=90°

Ferrocenecarboxylic anhydride

C₂₂H₁₈Fe₂O₃

McAdam, C. John Simpson, Jim

IUCrData (2016) 1, 11 x161769

a=14.8773(2)Å b=12.2499(2)Å c=19.3288(3)Å

α=90° β=90° γ=90°

2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde

C₁₂H₁₆O₃

Wickramasinhage, Ravindra McAdam, C. John Simpson, Jim

IUCrData (2016) 1, 2 x160307

a=4.5856(3)Å b=14.2281(9)Å c=8.3312(4)Å

α=90° β=98.515(5)° γ=90°

2-(Ethoxycarbonothioylthio)propanoic acid

C₆H₁₀O₃S₂

Eyer, Lukas N.McAdam, C. John Simpson, Jim

IUCrData (2017) 2, 7 x171035

a=7.4093(4)Å b=7.9779(3)Å c=8.6250(3)Å

α=67.300(4)° β=85.900(4)° γ=74.068(4)°

Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate

C₁₅H₂₂O₄

Goswami, Shailesh K.Hanton, Lyall R.McAdam, C. John Moratti, Stephen C.Simpson, Jim

IUCrData (2017) 2, 4 x170500

a=8.7453(13)Å b=8.6888(10)Å c=9.2511(11)Å

α=90° β=95.936(8)° γ=90°

2-Chloro-1-ferrocenylethanone

C₁₂H₁₁ClFeO

McAdam, C. John Simpson, Jim

IUCrData (2016) 1, 1 x152177

a=7.4235(4)Å b=9.6339(4)Å c=7.5209(3)Å

α=90° β=99.728(2)° γ=90°

9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2H,5H,9H,10H)-dione

C₂₁H₂₂BrNO₄

Abdelhamid, Antar A.Mohamed, Shaaban K.Simpson, Jim

IUCrData (2016) 1, 1 x152425

a=16.0067(4)Å b=8.94550(10)Å c=16.1617(4)Å

α=90° β=128.853(4)° γ=90°

3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)

C₁₈H₂₆N₂O₂

Abdelhamida, Antar A.Mohamed, Shaaban K.Simpson, Jim

IUCrData (2016) 1, 1 x152175

a=8.1839(2)Å b=9.1461(3)Å c=11.7669(4)Å

α=106.557(3)° β=97.687(2)° γ=96.630(2)°

2-Chloro-1-ferrocenylethanol

C₁₂H₁₃ClFeO

McAdam, C. John Simpson, Jim

IUCrData (2016) 1, 1 x160102

a=6.0366(4)Å b=7.6215(5)Å c=23.0837(14)Å

α=90° β=91.737(3)° γ=90°

Methyl 4-hydroxy-3-nitrobenzoate

C₈H₇NO₅

Fu, Xin-Ling Li, Jiang-Sheng Simpson, Jim

Crystals (2012) 2, 2 669-674

a=7.2831(15)Å b=10.522(2)Å c=11.410(2)Å

α=83.38(3)° β=80.83(3)° γ=82.02(3)°

C₂₆H₁₈Fe

Cuffe, Laurence Hudson, Richard D. A.Gallagher, John F.Jennings, Sarah McAdam, C. John Connelly, Rosamond B. T.Manning, Anthony R.Robinson, Brian. H.Simpson, Jim

Organometallics (2005) 24, 9 2051-2060

a=7.265(3)Å b=11.059(4)Å c=22.303(8)Å

α=90.00° β=91.824(5)° γ=90.00°

C₂₈H₁₈Fe

Cuffe, Laurence Hudson, Richard D. A.Gallagher, John F.Jennings, Sarah McAdam, C. John Connelly, Rosamond B. T.Manning, Anthony R.Robinson, Brian. H.Simpson, Jim

Organometallics (2005) 24, 9 2051-2060

a=7.810(5)Å b=9.956(6)Å c=13.205(8)Å

α=107.540(6)° β=101.733(7)° γ=100.521(6)°

C₃₂H₂₀Fe

Cuffe, Laurence Hudson, Richard D. A.Gallagher, John F.Jennings, Sarah McAdam, C. John Connelly, Rosamond B. T.Manning, Anthony R.Robinson, Brian. H.Simpson, Jim

Organometallics (2005) 24, 9 2051-2060

a=11.421(1)Å b=10.868(1)Å c=17.2066(16)Å

α=90.00° β=99.609(1)° γ=90.00°

C₂₆H₂₀Fe

Cuffe, Laurence Hudson, Richard D. A.Gallagher, John F.Jennings, Sarah McAdam, C. John Connelly, Rosamond B. T.Manning, Anthony R.Robinson, Brian. H.Simpson, Jim

Organometallics (2005) 24, 9 2051-2060

a=7.7278(4)Å b=10.5188(9)Å c=12.0885(8)Å

α=101.449(5)° β=100.901(4)° γ=95.453(5)°

(E)-1-ferrocenyl-2-(1-pyrenyl) ethene

C₂₈H₂₀Fe

Cuffe, Laurence Hudson, Richard D. A.Gallagher, John F.Jennings, Sarah McAdam, C. John Connelly, Rosamond B. T.Manning, Anthony R.Robinson, Brian. H.Simpson, Jim

Organometallics (2005) 24, 9 2051-2060

a=19.12(3)Å b=7.379(9)Å c=14.89(3)Å

α=90.00° β=110.62(3)° γ=90.00°

N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)- 2,2,2-trifluoro-N-(1-phenylethyl)acetamide

C₁₈H₂₁F₆NO₄

Hayman, Colin M.Larsen, David S.Simpson, Jim Bailey, Karl B.Gill, Gurmit Singh

Organic & biomolecular chemistry (2006) 4, 14 2794-2800

a=9.499(2)Å b=10.601(3)Å c=11.958(3)Å

α=113.345(3)° β=98.080(3)° γ=103.188(3)°

(μ~2~-η^5^-dimethylaminomethylcyclopentadienyl)-(η^5^-cyclopentadienyl)-iron- (trimethylsilylethynyl-dimethylsulfoxide-platinum(II)) benzene solvate

C₂₀H₃₁FeNOPtSSi_,C₆H₆

McAdam, C. John Blackie, Evan J.Morgan, Joy L.Mole, Sarah A.Robinson, Brian H.Simpson, Jim

Journal of the Chemical Society, Dalton Transactions (2001) 16 2362

a=31.9871(6)Å b=10.3174(2)Å c=19.3210(3)Å

α=90.00° β=120.8720(10)° γ=90.00°

(μ~2~-η^5^-dimethylaminomethylcyclopentadienyl)-(η^5^-cyclopentadienyl)-iron- (ferrocenylethynyl-dimethylsulfoxide-platinum(II)) 2(1/2 water solvate)

C₂₇H₃₁Fe₂NOSPt₁/2H₂O₁/2H₂O

McAdam, C. John Blackie, Evan J.Morgan, Joy L.Mole, Sarah A.Robinson, Brian H.Simpson, Jim

Journal of the Chemical Society, Dalton Transactions (2001) 16 2362

a=29.924(10)Å b=10.132(3)Å c=19.366(6)Å

α=90.00° β=112.810(7)° γ=90.00°

C₁₈H₁₂Cl₂CoN_6,2(H₂O)

Azarkamanzad, Zahra Farzaneh, Faezeh Maghami, Mahboobeh Simpson, Jim

New Journal of Chemistry (2019) 43, 30 12020

a=8.678(3)Å b=8.791(3)Å c=13.536(5)Å

α=101.547(12)° β=99.354(11)° γ=103.124(10)°

C₂₁H₁₅N₃O

Darabi, Farivash Hadadzadeh, Hassan Simpson, Jim Shahpiri, Azar

New J. Chem. (2016) 40, 11 9081

a=4.7910(10)Å b=16.125(4)Å c=20.850(5)Å

α=90.00° β=90.00° γ=90.00°

(4-(4-Hydroxyphenyl)-2,2':6',2''-terpyridine-κ^3^N)chloridopalladium(II)

C₂₁H₁₅ClN₃OPd_,Cl_,H₂O_,0.8O

Darabi, Farivash Hadadzadeh, Hassan Simpson, Jim Shahpiri, Azar

New J. Chem. (2016) 40, 11 9081

a=29.3162(6)Å b=29.3162(6)Å c=5.0991(2)Å

α=90° β=90° γ=90°

?

C₂₁H₁₉N₂O₄V₁

Yousef Ebrahimipour, S.Sheikhshoaie, Iran Simpson, Jim Ebrahimnejad, Hadi Dusek, Michal Kharazmi, Nima Eigner, Vaclav

New J. Chem. (2016) 40, 3 2401

a=34.6714(16)Å b=6.0918(3)Å c=17.8955(5)Å

α=90° β=97.143(3)° γ=90°

?

C₂₀H₁₉N₂O₅V₁

Yousef Ebrahimipour, S.Sheikhshoaie, Iran Simpson, Jim Ebrahimnejad, Hadi Dusek, Michal Kharazmi, Nima Eigner, Vaclav

New J. Chem. (2016) 40, 3 2401

a=12.7970(8)Å b=7.8400(4)Å c=19.3207(13)Å

α=90° β=104.308(5)° γ=90°

?

C₁₈H₁₄N₂O₂

Yousef Ebrahimipour, S.Sheikhshoaie, Iran Simpson, Jim Ebrahimnejad, Hadi Dusek, Michal Kharazmi, Nima Eigner, Vaclav

New J. Chem. (2016) 40, 3 2401

a=6.9512(4)Å b=29.5028(18)Å c=7.4215(5)Å

α=90° β=108.876(6)° γ=90°

?

C₂₀H₁₇N₂O₄V₁

Yousef Ebrahimipour, S.Sheikhshoaie, Iran Simpson, Jim Ebrahimnejad, Hadi Dusek, Michal Kharazmi, Nima Eigner, Vaclav

New J. Chem. (2016) 40, 3 2401

a=17.8457(18)Å b=5.9203(5)Å c=18.1622(13)Å

α=90° β=110.679(8)° γ=90°

Dichlorido-bis[N-(4-methoxyphenyl)acetamide-O]-zinc(II)

C₁₈H₂₂Cl₂N₂O₄Zn

Sultana, Kishwar Zaib, Sumera Hassan Khan, Najm ul Khan, Imtiaz Shahid, Khadija Simpson, Jim Iqbal, Jamshed

New J. Chem. (2016) 40, 8 7084

a=16.8955(6)Å b=10.3515(4)Å c=11.5475(5)Å

α=90° β=90° γ=90°

C₃₀H₂₄N₈ClRu_,PF_6,0.5(C₃H₆NO)

Hadadzadeh, Hassan Farrokhpour, Hossein Simpson, Jim Shakeri, Jamaladin Daryanavard, Marzieh Shokrollahi, Marzieh

New J. Chem. (2016) 40, 7 6347

a=15.4810(6)Å b=16.0850(5)Å c=16.8860(4)Å

α=84.904(2)° β=68.132(3)° γ=68.142(3)°

(E)-N'-(2-(allyloxy)benzylidene)-2-(4-bromophenyl)acetohydrazide

C₁₈H₁₇BrN₂O₂

Khan, Imtiaz Ibrar, Aliya Ejaz, Syeda Abida Khan, Shafi Ullah Shah, Syed Jawad Ali Hameed, Shahid Simpson, Jim Lecka, Joanna Sévigny, Jean Iqbal, Jamshed

RSC Advances (2015) 5, 110 90806

a=14.6957(3)Å b=4.84494(11)Å c=23.1542(5)Å

α=90° β=102.219(2)° γ=90°

C₁₃H₂₁N₃O₃S

Andleeb, Hina Khan, Imtiaz Franconetti, Antonio Tahir, Muhammad Nawaz Simpson, Jim Hameed, Shahid Frontera, Antonio

CrystEngComm (2019) 21, 11 1780

a=10.3216(9)Å b=6.6441(5)Å c=12.0540(11)Å

α=90° β=105.426(4)° γ=90°

C₁₂H₁₉N₃O₃S

Andleeb, Hina Khan, Imtiaz Franconetti, Antonio Tahir, Muhammad Nawaz Simpson, Jim Hameed, Shahid Frontera, Antonio

CrystEngComm (2019) 21, 11 1780

a=7.6720(11)Å b=9.7977(13)Å c=9.9187(13)Å

α=90° β=90.011(5)° γ=90°

C₁₂H₁₉N₃O₄S

Andleeb, Hina Khan, Imtiaz Franconetti, Antonio Tahir, Muhammad Nawaz Simpson, Jim Hameed, Shahid Frontera, Antonio

CrystEngComm (2019) 21, 11 1780

a=10.4333(7)Å b=6.8279(4)Å c=11.1774(7)Å

α=90° β=113.332(4)° γ=90°

C₁₁H₁₆ClN₃O₃S

Andleeb, Hina Khan, Imtiaz Franconetti, Antonio Tahir, Muhammad Nawaz Simpson, Jim Hameed, Shahid Frontera, Antonio

CrystEngComm (2019) 21, 11 1780

a=10.4296(6)Å b=6.7642(3)Å c=11.2829(6)Å

α=90° β=113.623(3)° γ=90°

C₉H₁₂ClN₃O₃S

Andleeb, Hina Khan, Imtiaz Franconetti, Antonio Tahir, Muhammad Nawaz Simpson, Jim Hameed, Shahid Frontera, Antonio

CrystEngComm (2019) 21, 11 1780

a=10.0850(5)Å b=6.6661(3)Å c=18.9899(9)Å

α=90° β=104.813(3)° γ=90°