Structures by: Oswald I. D.

Total: 194

C4H6O2

C4H6O2

Marshall, William G.Urquhart, Andrew J.Oswald, Iain D. H.

The journal of physical chemistry. B (2015) 119, 36 12147-12154

a=3.6140(7)Å   b=16.420(3)Å   c=6.773(3)Å

α=90°   β=90.36(3)°   γ=90°

P-aminobenzoic acid

C7H7NO2

Ward, Martin R.Younis, ShathaCruz-Cabeza, Aurora J.Bull, Craig L.Funnell, Nicholas P.Oswald, Iain D. H.

CrystEngComm (2019) 21, 13 2058

a=6.4341(11)Å   b=4.6151(3)Å   c=10.5313(7)Å

α=90°   β=100.730(10)°   γ=90°

P-aminobenzoic acid

C7H7NO2

Ward, Martin R.Younis, ShathaCruz-Cabeza, Aurora J.Bull, Craig L.Funnell, Nicholas P.Oswald, Iain D. H.

CrystEngComm (2019) 21, 13 2058

a=6.4003(11)Å   b=4.5981(4)Å   c=10.4452(15)Å

α=90°   β=100.748(14)°   γ=90°

P-aminobenzoic acid

C7H7NO2

Ward, Martin R.Younis, ShathaCruz-Cabeza, Aurora J.Bull, Craig L.Funnell, Nicholas P.Oswald, Iain D. H.

CrystEngComm (2019) 21, 13 2058

a=6.4342(10)Å   b=4.6146(4)Å   c=10.5397(10)Å

α=90°   β=100.667(9)°   γ=90°

4-aminobenzoic acid

C7H7NO2

Ward, Martin R.Younis, ShathaCruz-Cabeza, Aurora J.Bull, Craig L.Funnell, Nicholas P.Oswald, Iain D. H.

CrystEngComm (2019) 21, 13 2058

a=6.5086(5)Å   b=4.6661(4)Å   c=10.7596(8)Å

α=90°   β=100.6850(10)°   γ=90°

Paracetamol

C8H9NO2

Ward, Martin R.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4437

a=17.143(8)Å   b=11.806(6)Å   c=7.399(10)Å

α=90°   β=90°   γ=90°

Paracetamol

C8H9NO2

Ward, Martin R.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4437

a=17.1202(17)Å   b=11.7968(11)Å   c=7.288(2)Å

α=90°   β=90°   γ=90°

Paracetamol:methanol solvate, (1:1)

CH4O,C8H9NO2

Ward, Martin R.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4437

a=12.9717(15)Å   b=17.1881(9)Å   c=13.0437(19)Å

α=90°   β=116.032(8)°   γ=90°

Acetaminophen

C8H9NO2

Ward, Martin R.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4437

a=17.1522(5)Å   b=11.8201(4)Å   c=7.3985(2)Å

α=90°   β=90°   γ=90°

Paracetamol:methanol solvate, (1:1)

CH4O,C8H9NO2

Ward, Martin R.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4437

a=13.0234(15)Å   b=17.2078(9)Å   c=13.0925(15)Å

α=90°   β=116.209(7)°   γ=90°

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=7.1314(2)Å   b=10.4809(2)Å   c=16.7109(4)Å

α=80.5779(12)°   β=86.4941(12)°   γ=79.2821(12)°

?1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=6.7888(3)Å   b=9.6045(11)Å   c=16.3703(16)Å

α=77.764(8)°   β=84.858(6)°   γ=81.297(8)°

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=6.7561(3)Å   b=9.5308(11)Å   c=16.3385(16)Å

α=77.508(8)°   β=84.710(6)°   γ=81.556(8)°

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=6.7109(4)Å   b=9.4367(12)Å   c=16.2988(17)Å

α=77.132(9)°   β=84.534(7)°   γ=81.962(9)°

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=6.9301(4)Å   b=9.9420(7)Å   c=16.514(3)Å

α=79.013(11)°   β=85.441(10)°   γ=80.339(5)°

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=7.0133(6)Å   b=10.155(2)Å   c=16.607(3)Å

α=79.683(14)°   β=85.829(11)°   γ=79.844(14)°

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide

C19H16ClNO4,C7H5NO3S

Connor, Lauren E.Vassileiou, Antony D.Halbert, Gavin W.Johnston, Blair F.Oswald, Iain D. H.

CrystEngComm (2019) 21, 30 4465

a=6.6623(3)Å   b=9.3453(11)Å   c=16.2637(15)Å

α=76.764(8)°   β=84.331(6)°   γ=82.375(8)°

Paracetamol monomethanolate

C9H13N1O3

Fabbiani, Francesca P. A.Allan, David R.Dawson, AliceDavid, William I. F.McGregor, Pamela A.Oswald, Iain D. H.Parsons, SimonPulham, Colin R.

Chemical Communications (Cambridge, United Kingdom) (2003) 24 3004-3005

a=7.630(2)Å   b=17.209(3)Å   c=7.3710(11)Å

α=90°   β=115.52(3)°   γ=90°

C3H6N6O6

C3H6N6O6

Millar, David I. A.Oswald, Iain D. H.Barry, ChristopherFrancis, Duncan J.Marshall, William G.Pulham, Colin R.Cumming, Adam S.

Chemical communications (Cambridge, England) (2010) 46, 31 5662-5664

a=7.0324(11)Å   b=10.530(3)Å   c=8.7909(11)Å

α=90°   β=90°   γ=90°

2-methylphenol

C7H8O

Oswald, Iain D. H.Crichton, Wilson A.

CrystEngComm (2009) 11, 3 463

a=5.9637(4)Å   b=4.7006(3)Å   c=19.769(3)Å

α=90.00°   β=92.792(10)°   γ=90.00°

2-Chlorophenol

C6H5ClO

Oswald, Iain D. H.Crichton, Wilson A.

CrystEngComm (2009) 11, 3 463

a=5.5826(10)Å   b=9.587(3)Å   c=10.054(4)Å

α=90.00°   β=96.19(2)°   γ=90.00°

2-methylphenol

C7H8O

Oswald, Iain D. H.Crichton, Wilson A.

CrystEngComm (2009) 11, 3 463

a=16.4153(2)Å   b=16.4153(2)Å   c=5.7931(2)Å

α=90.00°   β=90.00°   γ=120.00°

(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL

0.45(C7H8O)0.55(C6H5OCl)

Oswald, Iain D. H.Crichton, Wilson A.

CrystEngComm (2009) 11, 3 463

a=16.1628(2)Å   b=16.1628(2)Å   c=5.9006(1)Å

α=90.00°   β=90.00°   γ=120.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=14.992(2)Å   b=6.4333(7)Å   c=13.610(2)Å

α=90.00°   β=107.306(12)°   γ=90.00°

Bis(N,N-Dimethylurea) & oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.740(5)Å   b=6.440(5)Å   c=13.540(5)Å

α=90.00°   β=110.880(10)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.770(5)Å   b=6.440(5)Å   c=13.600(5)Å

α=90.00°   β=111.140(10)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.7944(3)Å   b=6.4482(2)Å   c=13.6550(6)Å

α=90.00°   β=111.407(2)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.820(5)Å   b=6.450(5)Å   c=13.710(5)Å

α=90.00°   β=111.660(10)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.790(5)Å   b=6.450(5)Å   c=13.660(5)Å

α=90.00°   β=111.410(10)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.840(5)Å   b=6.460(5)Å   c=13.770(5)Å

α=90.00°   β=111.940(10)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.870(5)Å   b=6.470(5)Å   c=13.830(5)Å

α=90.00°   β=112.200(10)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C4H9N2O3

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.8936(4)Å   b=6.4695(3)Å   c=13.8871(7)Å

α=90.00°   β=112.474(3)°   γ=90.00°

Bis(N,N-Dimethylurea) oxalic acid

C8H18N4O6

Jones, Andrew O. F.Lemée-Cailleau, Marie-HélèneMartins, David M. S.McIntyre, Garry J.Oswald, Iain D. H.Pulham, Colin R.Spanswick, Christopher K.Thomas, Lynne H.Wilson, Chick C.

Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283

a=7.890(5)Å   b=6.470(5)Å   c=13.890(5)Å

α=90.00°   β=112.470(10)°   γ=90.00°

Cyclotrimethylene-trinitramine

C3H6N6O6

Davidson, Alistair J.Oswald, Iain D. H.Francis, Duncan J.Lennie, Alistair R.Marshall, William G.Millar, David I. A.Pulham, Colin R.Warren, John E.Cumming, Adam S.

CrystEngComm (2008) 10, 2 162

a=12.5650(19)Å   b=9.4769(6)Å   c=10.9297(9)Å

α=90°   β=90°   γ=90°

Cyclotrimethylene-trinitramine

C3N6O6D6

Davidson, Alistair J.Oswald, Iain D. H.Francis, Duncan J.Lennie, Alistair R.Marshall, William G.Millar, David I. A.Pulham, Colin R.Warren, John E.Cumming, Adam S.

CrystEngComm (2008) 10, 2 162

a=12.6319(15)Å   b=9.5554(14)Å   c=11.0036(22)Å

α=90.0°   β=90.0°   γ=90.0°

2:1:2 Paracetamol:piperazine:ethanol solvate

C8H9NO2,0.5(C4H10N2),C2H6O

Oswald, Iain D. H.Pulham, Colin R.

CrystEngComm (2008) 10, 9 1114

a=7.544(5)Å   b=8.604(7)Å   c=10.394(3)Å

α=93.18(5)°   β=97.73(4)°   γ=114.70(5)°

C4H6O2

C4H6O2

Oswald, Iain D. H.Urquhart, Andrew J.

CrystEngComm (2011) 13, 14 4503

a=3.8056(3)Å   b=10.4842(8)Å   c=11.6286(10)Å

α=90°   β=91.468(4)°   γ=90°

C3H4O2

C3H4O2

Oswald, Iain D. H.Urquhart, Andrew J.

CrystEngComm (2011) 13, 14 4503

a=5.1352(10)Å   b=9.802(3)Å   c=6.850(4)Å

α=90°   β=97.28(3)°   γ=90°

C4H6O2

C4H6O2

Oswald, Iain D. H.Urquhart, Andrew J.

CrystEngComm (2011) 13, 14 4503

a=3.8808(11)Å   b=10.616(6)Å   c=11.718(4)Å

α=90°   β=91.24(2)°   γ=90°

C4H6O2

C4H6O2

Oswald, Iain D. H.Urquhart, Andrew J.

CrystEngComm (2011) 13, 14 4503

a=3.7643(13)Å   b=13.501(6)Å   c=8.308(5)Å

α=90°   β=101.22(3)°   γ=90°

C3H4O2

C3H4O2

Oswald, Iain D. H.Urquhart, Andrew J.

CrystEngComm (2011) 13, 14 4503

a=9.959(3)Å   b=11.667(3)Å   c=6.3044(11)Å

α=90°   β=90°   γ=90°

C12H20N14O14

C12H20N14O14

Millar, David I. A.Maynard-Casely, Helen E.Allan, David R.Cumming, Adam S.Lennie, Alistair R.Mackay, Alexandra J.Oswald, Iain D. H.Tang, Chiu C.Pulham, Colin R.

CrystEngComm (2012) 14, 10 3742

a=7.7843(16)Å   b=12.857(3)Å   c=13.002(3)Å

α=113.73(3)°   β=106.34(3)°   γ=92.43(3)°

2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:

C13.33H15.67N16O18.67

Millar, David I. A.Maynard-Casely, Helen E.Allan, David R.Cumming, Adam S.Lennie, Alistair R.Mackay, Alexandra J.Oswald, Iain D. H.Tang, Chiu C.Pulham, Colin R.

CrystEngComm (2012) 14, 10 3742

a=15.7503(9)Å   b=20.5096(13)Å   c=23.2073(13)Å

α=90°   β=90.092(2)°   γ=90°

2,4,6,8,10,12-hexanitrohexaazisowurtzitane:

C24H60N21O15P3

Millar, David I. A.Maynard-Casely, Helen E.Allan, David R.Cumming, Adam S.Lennie, Alistair R.Mackay, Alexandra J.Oswald, Iain D. H.Tang, Chiu C.Pulham, Colin R.

CrystEngComm (2012) 14, 10 3742

a=18.8930(3)Å   b=12.07295(13)Å   c=21.8241(4)Å

α=90°   β=114.977(2)°   γ=90°

2,4,6,8,10,12-hexanitrohexaazaisowurtzitane: 1,4-dioxane (1:4) Co-crystal

C10H17N6O9.50

Millar, David I. A.Maynard-Casely, Helen E.Allan, David R.Cumming, Adam S.Lennie, Alistair R.Mackay, Alexandra J.Oswald, Iain D. H.Tang, Chiu C.Pulham, Colin R.

CrystEngComm (2012) 14, 10 3742

a=10.3061(3)Å   b=10.7691(3)Å   c=14.5298(4)Å

α=73.897(2)°   β=89.527(2)°   γ=85.057(2)°

N-Phenyl-p-phenylenediamine+diglycolic acid

C12H12N2,C4H6O5

Delori, AmitUrquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2016) 18, 28 5360

a=17.9195(15)Å   b=9.1323(8)Å   c=18.7653(15)Å

α=90°   β=90°   γ=90°

N-Phenyl-p-phenylenediamine+diglycolic acid

C12H12N2,C4H6O5

Delori, AmitUrquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2016) 18, 28 5360

a=19.0949(19)Å   b=9.2904(9)Å   c=17.9875(19)Å

α=90°   β=110.543(5)°   γ=90°

1,4-Diaminobenzene+lawsone

2(C10H5O3),C6H10N2

Delori, AmitUrquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2016) 18, 28 5360

a=14.204(3)Å   b=8.573(2)Å   c=8.3934(19)Å

α=90°   β=91.851(13)°   γ=90°

1,4-Diaminobenzene+sebacic acid

C10H16O4,2(C6H9N2)

Delori, AmitUrquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2016) 18, 28 5360

a=9.1366(7)Å   b=6.2639(6)Å   c=20.6631(16)Å

α=90.00°   β=94.489(5)°   γ=90.00°

1,4-Diaminobenzene+trimesic acid+methanol

C9H5O6,C6H9N2,CH4O

Delori, AmitUrquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2016) 18, 28 5360

a=3.9902(2)Å   b=17.0520(9)Å   c=23.5518(12)Å

α=90°   β=90°   γ=90°

4-aminobenzoic acid

C7H7NO2

Ward, Martin R.Younis, ShathaCruz-Cabeza, Aurora J.Bull, Craig L.Funnell, Nicholas P.Oswald, Iain D. H.

CrystEngComm (2019) 21, 13 2058

a=6.4551(5)Å   b=4.6740(4)Å   c=10.5470(9)Å

α=90°   β=100.754(3)°   γ=90°

Nitric acid

H1N1O3

Allan, D. R.Marshall, W. G.Francis, D. J.Oswald, I. D. H.Pulham, C. R.Spanswick, C.

Dalton transactions (Cambridge, England : 2003) (2010) 39, 15 3736-3743

a=6.3689(3)Å   b=8.6046(4)Å   c=16.4141(9)Å

α=90°   β=90.055(4)°   γ=90°

Nitric acid

H1N1O3

Allan, D. R.Marshall, W. G.Francis, D. J.Oswald, I. D. H.Pulham, C. R.Spanswick, C.

Dalton transactions (Cambridge, England : 2003) (2010) 39, 15 3736-3743

a=6.3031(2)Å   b=8.5847(2)Å   c=16.3122(4)Å

α=90°   β=90.039(2)°   γ=90°

H1N1O3

H1N1O3

Allan, D. R.Marshall, W. G.Francis, D. J.Oswald, I. D. H.Pulham, C. R.Spanswick, C.

Dalton transactions (Cambridge, England : 2003) (2010) 39, 15 3736-3743

a=7.3163(4)Å   b=8.4176(11)Å   c=7.3135(11)Å

α=90°   β=116.895(6)°   γ=90°

Paracetamol monomethanolate

C9H13N1O3

Fabbiani, Francesca P. A.Allan, David R.Dawson, AliceDavid, William I. F.McGregor, Pamela A.Oswald, Iain D. H.Parsons, SimonPulham, Colin R.

Chemical Communications (Cambridge, United Kingdom) (2003) 24 3004-3005

a=7.630(2)Å   b=17.209(3)Å   c=7.3710(11)Å

α=90°   β=115.52(3)°   γ=90°

Beta-1,3,5-trinitrohexahydro-1,3,5-triazine

C3H6N6O6

Millar, David I AOswald, Iain D HFrancis, Duncan JMarshall, William GPulham, Colin RCumming, Adam S

Chemical communications (Cambridge, England) (2009) 34, 5 562-564

a=15.0972(7)Å   b=7.5463(4)Å   c=14.4316(6)Å

α=90°   β=90°   γ=90°

Beta-1,3,5-trinitrohexahydro-1,3,5-triazine

C3H6N6O6

Millar, David I AOswald, Iain D HFrancis, Duncan JMarshall, William GPulham, Colin RCumming, Adam S

Chemical communications (Cambridge, England) (2009) 34, 5 562-564

a=15.1267(11)Å   b=7.4563(6)Å   c=14.3719(11)Å

α=90°   β=90°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=10.0093(3)Å   b=22.8207(8)Å   c=10.4016(4)Å

α=90°   β=91.416(2)°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=7.1345(7)Å   b=23.048(3)Å   c=7.4330(8)Å

α=90°   β=90.449(6)°   γ=90°

30:70 (+-)-4'-methylmethcathinone hydrochloride hydrobromide salt solution

C11H16NO,0.72(Br),0.28(Cl)

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=10.2017(6)Å   b=22.3376(13)Å   c=10.5639(6)Å

α=90°   β=90.157(3)°   γ=90°

Alpha lipoicacid nicotinamide co-crystal

C8H14O2S2,C6H6N2O

Zhao, LihuaRaval, VishalBriggs, Naomi E. B.Bhardwaj, Rajni M.McGlone, ThomasOswald, Iain D. H.Florence, Alastair J.

CrystEngComm (2014) 16, 26 5769

a=26.292(2)Å   b=5.2948(4)Å   c=34.158(3)Å

α=90.00°   β=90.598(4)°   γ=90.00°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=10.0604(18)Å   b=22.876(4)Å   c=10.4041(19)Å

α=90°   β=91.741(2)°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=9.9973(13)Å   b=22.788(3)Å   c=10.4078(14)Å

α=90°   β=91.2430(10)°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=7.1160(12)Å   b=22.916(4)Å   c=7.3818(13)Å

α=90°   β=91.415(2)°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=7.1234(14)Å   b=22.966(4)Å   c=7.3986(14)Å

α=90°   β=91.146(2)°   γ=90°

(+-)-4'-methylmethcathinone hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=7.1264(14)Å   b=22.986(5)Å   c=7.4072(14)Å

α=90°   β=90.974(2)°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=7.1314(14)Å   b=23.013(5)Å   c=7.4180(15)Å

α=90°   β=90.803(2)°   γ=90°

(+-)-4'-methylmethcathinone Hydrochloride, Mephedrone

C11H16NO,Cl

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=7.1365(14)Å   b=23.041(5)Å   c=7.4304(15)Å

α=90°   β=90.628(2)°   γ=90°

(+-)-4'-methylmethcathinone Hydrobromide

C11H16NO,Br

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=5.7804(4)Å   b=19.7971(14)Å   c=10.5967(6)Å

α=90°   β=100.841(3)°   γ=90°

(+-)-4'-methylmethcathinone Hydrobromide

C11H16NO,Br

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=10.8355(19)Å   b=10.2030(17)Å   c=11.5425(19)Å

α=90°   β=111.839(8)°   γ=90°

60:40 (+-)-4'-methylmethcathinone hydrochloride hydrobromide salt solution

C11H16NO,0.4(Br),0.6(Cl)

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=10.1409(11)Å   b=22.488(3)Å   c=10.4979(11)Å

α=90°   β=90.359(8)°   γ=90°

70:30 (+-)-4'-methylmethcathinone hydrochloride hydrobromide salt solution

C11H16Br0.30Cl0.70N1O1

Delori, AmitMaclure, PaulineBhardwaj, Rajni M.Johnston, AndreaFlorence, Alastair J.Sutcliffe, Oliver B.Oswald, Iain D. H.

CrystEngComm (2014) 16, 26 5827

a=10.1012(5)Å   b=22.5506(12)Å   c=10.4737(5)Å

α=90°   β=90.441(3)°   γ=90°

1,4-Dioxane-2,5-dione

C4H4O4

Hutchison, Ian B.Delori, AmitWang, XiaoKamenev, Konstantin V.Urquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2015) 17, 8 1778

a=6.7039(2)Å   b=14.9481(4)Å   c=9.6177(2)Å

α=90°   β=98.9365(18)°   γ=90°

1,4-Dioxane-2,5-dione

C4H4O4

Hutchison, Ian B.Delori, AmitWang, XiaoKamenev, Konstantin V.Urquhart, Andrew J.Oswald, Iain D. H.

CrystEngComm (2015) 17, 8 1778

a=5.2399(2)Å   b=7.4388(3)Å   c=11.7763(4)Å

α=90°   β=90°   γ=90°

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)°

Quinol:pyrazine

C6H6O2.C4H4N2

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=8.901(3)Å   b=7.666(2)Å   c=6.984(2)Å

α=90.00°   β=90.091(6)°   γ=90.00°

Quinol:piperazine

C4H10N2,C6H6O2

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=5.7060(15)Å   b=6.7599(19)Å   c=7.0771(18)Å

α=100.269(4)°   β=112.446(3)°   γ=90.163(3)°

Quinol:2Morpholine

2(C4H9NO)(C6H6O2)

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=6.6652(13)Å   b=5.5881(11)Å   c=20.034(4)Å

α=90.00°   β=94.942(4)°   γ=90.00°

Hemi-quinol pyridine adduct

C3H3O(C5H5N)

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=6.4990(9)Å   b=16.459(2)Å   c=7.1794(10)Å

α=90.00°   β=112.986(3)°   γ=90.00°

Quinol:2(4,4'-bipyridine)

2(C10H8N2)(C6H6O2)

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=7.820(4)Å   b=8.619(4)Å   c=9.201(4)Å

α=111.897(7)°   β=109.851(7)°   γ=94.657(8)°

Quinol:2(N-methylmorpholine)

2(C5H11NO)(C6H6O2)

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=6.9612(10)Å   b=7.3146(11)Å   c=9.659(2)Å

α=106.182(3)°   β=104.481(3)°   γ=106.201(2)°

Quinol:dimethylpiperazine

C6H14N2.C6H6O2

Oswald, Iain D. H.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 46-57

a=8.9620(8)Å   b=9.4944(8)Å   c=14.7119(13)Å

α=90.501(2)°   β=92.919(2)°   γ=99.664(2)°

C6H5F1O1

C6H5F1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=5.6510(12)Å   b=5.0642(10)Å   c=9.3185(19)Å

α=90°   β=107.518(4)°   γ=90°

C6H5F1O1

C6H5F1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=5.6747(9)Å   b=5.0760(4)Å   c=9.4753(13)Å

α=90°   β=107.832(11)°   γ=90°

C6H5Cl1O1

C6H5Cl1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=3.9846(5)Å   b=13.9272(19)Å   c=20.699(3)Å

α=90°   β=90°   γ=90°

C6H5Cl1O1

C6H5Cl1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=4.0949(4)Å   b=13.875(3)Å   c=20.716(3)Å

α=90°   β=90°   γ=90°

C6H5Cl1O1

C6H5Cl1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=8.7086(11)Å   b=15.4523(19)Å   c=8.7414(11)Å

α=90°   β=93.954(2)°   γ=90°

C6H5Cl1O1

C6H5Cl1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=3.9724(5)Å   b=12.7328(17)Å   c=23.155(3)Å

α=90°   β=94.126(2)°   γ=90°

C6H5Cl1O1

C6H5Cl1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=4.1096(4)Å   b=12.7665(10)Å   c=23.181(3)Å

α=90°   β=94.201(14)°   γ=90°

C6H5F1O1

C6H5F1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=5.7168(7)Å   b=9.9997(19)Å   c=17.868(2)Å

α=90°   β=90°   γ=90°

C6H5F1O1

C6H5F1O1

Oswald, Iain D. H.Allan, David R.Motherwell, W. D. SamuelParsons, Simon

Acta Crystallographica Section B (2005) 61, 1 69-79

a=17.1336(10)Å   b=8.2766(5)Å   c=11.4975(7)Å

α=90°   β=100.234(2)°   γ=90°

Paracetamol hemi-dimethylpiperazine

2[C8H9NO2][C6H14N2]

Oswald, Iain D. H.Allan, David R.McGregor, Pamela A.Motherwell, W. D. SamuelParsons, SimonPulham, Colin R.

Acta Crystallographica Section B (2002) 58, 6 1057-1066

a=10.6970(9)Å   b=11.0240(9)Å   c=9.4896(8)Å

α=90.00°   β=100.684(2)°   γ=90.00°