Structures by: Smith G.

Total: 312

Bis(2-pyrimidinyl)disulfide dihydrate

C8H6N4S2,2H2O

Jensen, Gayleen B.Smith, GrahamSagatys, Dalius S.Healy, Peter C.White, Jonathan M.

Acta Crystallographica Section E (2004) 60, 12 o2438-o2440

a=11.8240(10)Å   b=6.9357(6)Å   c=14.4896(12)Å

α=90°   β=90.423(2)°   γ=90°

4-aminiumbenzoic acid 5-sulfosalicylate

C7H8NO2,C7H5O6S

Smith, GrahamWermuth, Urs D.White, Jonathan M.

Acta Crystallographica Section E (2005) 61, 2 o313-o316

a=32.264(3)Å   b=7.6517(7)Å   c=12.0672(11)Å

α=90.00°   β=95.242(2)°   γ=90.00°

Cytosinium 3,5-dinitrosalicylate

C7H3N2O7,C4H6N3O

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section E (2005) 61, 3 o746-o748

a=9.339(3)Å   b=5.766(3)Å   c=24.662(9)Å

α=90.00°   β=90.07(3)°   γ=90.00°

Metanilic acid: polymorph 2

C6H7NO3S

Graham SmithUrs D. WermuthDavid J. YoungJonathan M. White

Acta Crystallographica Section E (2006) 62, 3 o948-o950

a=15.9489(15)Å   b=7.4448(7)Å   c=11.1716(11)Å

α=90.00°   β=90.00°   γ=90.00°

Brucinium hydrogen isophthalate trihydrate

C23H27N2O4,C8H5O4,3H2O

Graham SmithUrs D. WermuthDavid J. YoungJonathan M. White

Acta Crystallographica Section E (2006) 62, 4 o1553-o1555

a=12.4560(9)Å   b=29.3559(19)Å   c=8.0020(5)Å

α=90.00°   β=90.00°   γ=90.00°

Na,C4H5O6,H2O1

Na,C4H5O6,H2O1

Bott, R. C.Sagatys, D. S.Lynch, D. E.Smith, G.Kennard, C. H. L.

Acta Crystallographica Section C (1993) 49, 6 1150-1152

a=7.2425(6)Å   b=8.6760(10)Å   c=10.5920(10)Å

α=90.°   β=90.°   γ=90.°

C18H15O1P1,C8H3Cl5O3

C18H15O1P1,C8H3Cl5O3

Lynch, D. E.Smith, G.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1993) 49, 2 285-288

a=10.185(6)Å   b=12.036(5)Å   c=12.194(6)Å

α=92.21(3)°   β=108.48(3)°   γ=106.10(3)°

C2H5N41,C7H4NO51

C2H5N41,C7H4NO51

Smith, G.Lynch, D. E.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1996) 52, 1 231-235

a=7.307(2)Å   b=12.327(1)Å   c=12.330(3)Å

α=90°   β=100.12(1)°   γ=90°

C2H5N41,C7H3N2O71

C2H5N41,C7H3N2O71

Smith, G.Lynch, D. E.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1996) 52, 1 231-235

a=24.070(5)Å   b=4.332(3)Å   c=11.8298(5)Å

α=90°   β=90°   γ=90°

C18H15O1P1,C8H6Cl2O3

C18H15O1P1,C8H6Cl2O3

Lynch, D. E.Smith, G.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1993) 49, 4 718-721

a=8.539(4)Å   b=15.564(7)Å   c=18.768(10)Å

α=90.97(3)°   β=95.25(3)°   γ=102.24(3)°

C13H15N3O8

C13H15N3O8

Smith, G.Lynch, D. E.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1995) 51, 12 2629-2633

a=7.892(1)Å   b=9.490(2)Å   c=10.115(2)Å

α=91.830(1)°   β=91.460(1)°   γ=100.350(2)°

C20H18N4O8

C20H18N4O8

Smith, G.Lynch, D. E.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1995) 51, 12 2629-2633

a=20.934(4)Å   b=7.6360(4)Å   c=12.966(2)Å

α=90°   β=100.250(8)°   γ=90°

C14H23N2OPS3

C14H23N2OPS3

Bottle, S. E.Bott, R. C.Smith, G.Wermuth, U. D.Kennard, C. H. L.

Acta Crystallographica Section C (1995) 51, 12 2633-2637

a=14.002(3)Å   b=9.0989(6)Å   c=15.413(4)Å

α=90°   β=114.24(1)°   γ=90°

C14H23N2OPS5

C14H23N2OPS5

Bottle, S. E.Bott, R. C.Smith, G.Wermuth, U. D.Kennard, C. H. L.

Acta Crystallographica Section C (1995) 51, 12 2633-2637

a=9.836(9)Å   b=14.01(1)Å   c=15.733(8)Å

α=96.89(5)°   β=91.95(5)°   γ=107.70(4)°

C9H10O4

C9H10O4

Lynch, D.E.Smith, G.Byriel, K.A.Kennard, C.H.L.

Acta Crystallographica Section C (1994) 50, 8 1259-1262

a=10.879(4)Å   b=4.9238(3)Å   c=16.388(6)Å

α=90.°   β=104.42(2)°   γ=90.°

C2H5N4,C7H4N1O4

C2H5N4,C7H4N1O4

Lynch, D. E.Smith, G.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1994) 50, 8 1291-1294

a=13.316(5)Å   b=11.1920(10)Å   c=14.935(5)Å

α=90.°   β=100.39(2)°   γ=90.°

C6H6NO2,Cl,H2O

C6H6NO2,Cl,H2O

Smith, G.Byriel, K. A.Kennard, C. H. L.

Acta Crystallographica Section C (1995) 51, 7 1425-1427

a=6.807(1)Å   b=8.5813(9)Å   c=13.994(4)Å

α=90°   β=98.20(1)°   γ=90°

Guanidinium 4-nitroanthranilate monohydrate

CH6N3,C7H5N2O4,H2O

Graham Smith Urs D. Wermuth Peter C. HealyJonathan M. White

Acta Crystallographica Section E (2007) 63, 1 o7-o9

a=16.122(5)Å   b=3.7796(11)Å   c=19.715(5)Å

α=90.00°   β=110.006(5)°   γ=90.00°

Guanidinium 3,5-dinitrobenzoate

CH6N3,C7H3N2O6

Smith, GrahamWermuth, Urs D.White, Jonathan M.

Acta Crystallographica Section E (2007) 63, 2 o867-o868

a=7.5192(6)Å   b=19.0605(14)Å   c=7.8416(6)Å

α=90.00°   β=103.5660(10)°   γ=90.00°

Guanidinium hydrogen 3-nitrophthalate monohydrate

CH6N3,C8H4NO6,H2O

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section E (2007) 63, 8 o3527-o3528

a=14.758(3)Å   b=12.5955(19)Å   c=6.8423(12)Å

α=90.00°   β=100.006(16)°   γ=90.00°

Brucinium hydrogen 4,5-dichlorophthalate

C23H27N2O4,C8H3Cl2O4

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section E (2007) 63, 11 o4276-o4277

a=9.5085(10)Å   b=12.9946(13)Å   c=11.5893(12)Å

α=90.00°   β=104.110(2)°   γ=90.00°

Dipotassium 4,4'-biphenyldisulfonate dihyrate

2(K),C12H8O6S22,2H2O

Graham Smith Urs D. Wermuth Peter C. Healy

Acta Crystallographica Section E (2007) 63, 12 m3056-m3057

a=5.8316(10)Å   b=19.691(7)Å   c=14.623(2)Å

α=90°   β=98.953(13)°   γ=90°

(2,4,6-trinitrophenyl)guanidine

C7H6N6O6

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section E (2007) 63, 9 o3759-o3759

a=7.6596(10)Å   b=7.7316(10)Å   c=9.0411(12)Å

α=104.045(3)°   β=95.004(2)°   γ=103.121(2)°

4-picraminobenzoic acid

C13H8N4O8

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section E (2007) 63, 12 o4803-o4803

a=20.317(2)Å   b=5.0919(5)Å   c=13.9364(15)Å

α=90.00°   β=102.903(2)°   γ=90.00°

Guanidinium hydrogen fumarate

CH6N3,C4H3O4

Graham Smith Urs D. Wermuth David J. YoungPeter C. Healy

Acta Crystallographica Section E (2007) 63, 2 o556-o557

a=5.4995(12)Å   b=18.842(5)Å   c=3.6943(11)Å

α=90.00°   β=94.83(2)°   γ=90.00°

Guanidinium pyrazine-2,3-dicarboxylate trihydrate

2CH6N3,C6H2N2O42,3H2O

Graham SmithUrs D. WermuthDavid J. YoungJonathan M. White

Acta Crystallographica Section E (2006) 62, 9 o3912-o3914

a=7.7141(8)Å   b=7.7252(8)Å   c=13.0299(13)Å

α=90.00°   β=93.403(2)°   γ=90.00°

5-hydroxynaphthalen-1-aminium 2-carboxy-4,6-dinitrophenolate monohydrate

C10H10NO,C7H3N2O7,H2O

Graham SmithUrs D. WermuthDavid J. YoungPeter C. Healy

Acta Crystallographica Section E (2007) 63, 5 o2517-o2519

a=27.324(6)Å   b=8.879(4)Å   c=7.037(4)Å

α=90.00°   β=94.98(3)°   γ=90.00°

Quinolinium-2-carboxylic acid-picrylsulfonate-quinaldic acid adduct

C10H8NO2,C6H2N3O9S,C10H7NO2

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section E (2008) 64, 1 o132-o133

a=7.8872(6)Å   b=12.4753(10)Å   c=14.6617(12)Å

α=66.2270(10)°   β=74.997(2)°   γ=82.191(2)°

Diammonium biphenyl-4,4'-disulfonate

2(H4N),C12H8O6S22

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section E (2008) 64, 1 o47-o47

a=14.778(2)Å   b=7.4138(12)Å   c=7.6647(13)Å

α=90.00°   β=96.667(13)°   γ=90.00°

Quinolinium dihydrogen citrate

C9H8N,C6H7O7

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section E (2007) 63, 6 o2890-o2890

a=7.5202(6)Å   b=11.9267(10)Å   c=17.1484(14)Å

α=90.00°   β=93.2170(10)°   γ=90.00°

8-hydroxyquinolinium pyrazine-2,3-dicarboxylate dihydrate

C9H8NO,C6H3N2O4,2(H2O)

Graham SmithUrs D. WermuthPeter C. HealyJonathan M. White

Acta Crystallographica Section E (2006) 62, 11 o5089-o5091

a=6.8754(9)Å   b=12.0387(15)Å   c=19.338(2)Å

α=86.138(2)°   β=80.977(2)°   γ=73.673(2)°

Quinolinium picrylsulfonate

C9H8N,C6H2N3O9S

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section E (2006) 62, 12 o5510-o5512

a=8.1070(19)Å   b=9.486(2)Å   c=12.581(2)Å

α=79.41(2)°   β=82.347(16)°   γ=64.909(16)°

4-chloroaniliniun hydrogen L-(+)-tartrate monohydrate

C6H7ClN,C4H5O6,H2O

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section E (2007) 63, 8 o3432-o3433

a=7.3437(15)Å   b=10.850(2)Å   c=15.971(3)Å

α=90.00°   β=97.880(4)°   γ=90.00°

2-(4-aminophenyl)-1-phenylhydrazin-1-ium 3-carboxy-4-hydroxybenzenesulfonate methanol solvate

C12H12N3,C7H5O6S,CH4O

Smith, GrahamWermuth, Urs D.Young, David J.White, Jonathan M.

Acta Crystallographica Section C (2009) 65, 10 o543-o548

a=8.7174(7)Å   b=20.1160(16)Å   c=11.8827(9)Å

α=90.00°   β=97.145(2)°   γ=90.00°

4-phenylazoanilinium benzenesulfonate

2(C12H12N3),2(C6H5O3S)

Smith, GrahamWermuth, Urs D.Young, David J.White, Jonathan M.

Acta Crystallographica Section C (2009) 65, 10 o543-o548

a=5.7601(4)Å   b=13.0794(8)Å   c=23.6556(15)Å

α=77.937(5)°   β=83.985(5)°   γ=86.971(5)°

4-(phenyldiazenyl)aniline--3,5-dinitrobenzoic acid (1/2)

C12H11N3,2(C7H4N2O6)

Smith, GrahamWermuth, Urs D.Young, David J.White, Jonathan M.

Acta Crystallographica Section C (2009) 65, 10 o543-o548

a=8.2048(7)Å   b=8.8859(7)Å   c=11.5802(9)Å

α=112.292(8)°   β=92.560(7)°   γ=114.072(8)°

Ammonium 5-sulfosalicylate monohydrate

H4N,C7H5O6S,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2013) 69, 5 534-537

a=11.8476(3)Å   b=7.2879(2)Å   c=12.1343(3)Å

α=90.00°   β=105.018(3)°   γ=90.00°

Triammonium 5-sulfosalicylate

3(H4N),C7H4O6S2,C7H5O6S

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2013) 69, 5 534-537

a=18.7682(8)Å   b=5.0027(2)Å   c=21.2122(10)Å

α=90.00°   β=101.990(4)°   γ=90.00°

Sulfamethazinium 5-nitrosalicylate

C12H15N4O2S,C7H4NO5

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2013) 69, 5 538-543

a=13.1611(2)Å   b=14.0977(2)Å   c=22.1219(3)Å

α=90.00°   β=90.094(2)°   γ=90.00°

Sulfamethazinium picrate

C12H15N4O2S,C6H2N3O7

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2013) 69, 5 538-543

a=8.3131(2)Å   b=19.2779(5)Å   c=13.4483(4)Å

α=90.00°   β=99.158(3)°   γ=90.00°

Caesium 4-fluorophenoxyacetate

C8H6CsFO3

Smith, GrahamLynch, Daniel E.

Acta Crystallographica Section C (2014) 70, 6 606-612

a=6.8582(2)Å   b=7.6183(3)Å   c=35.6746(15)Å

α=90.00°   β=92.778(3)°   γ=90.00°

Ammonium 2,4-dichlorobenzoate hemihydrate

H4N,C7H3Cl2O2,0.5(H2O)

Smith, Graham

Acta Crystallographica Section C (2014) 70, 3 315-319

a=31.968(4)Å   b=4.3558(7)Å   c=13.0458(14)Å

α=90.00°   β=92.763(12)°   γ=90.00°

Caesium (3-chloro-2-methylphenoxy)acetate monohydrate

C9H10ClCsO4

Smith, GrahamLynch, Daniel E.

Acta Crystallographica Section C (2014) 70, 6 606-612

a=18.1357(7)Å   b=8.8722(4)Å   c=7.0958(3)Å

α=90.00°   β=94.158(4)°   γ=90.00°

Caesium (2,4-dichlorophenoxy)acetate-(2,4-dichlorophenoxy)acetic acid

C16H11Cl4CsO6

Smith, GrahamLynch, Daniel E.

Acta Crystallographica Section C (2014) 70, 6 606-612

a=4.8756(4)Å   b=7.1876(4)Å   c=15.3045(10)Å

α=96.223(5)°   β=94.561(6)°   γ=106.450(6)°

Sodium <i>p</i>-arsanilate trihydrate

C6H13AsNNaO6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2014) 70, 8

a=10.4069(13)Å   b=13.6410(17)Å   c=7.7494(9)Å

α=90.00°   β=90.00°   γ=90.00°

Ammonium <i>p</i>-arsanilate monohydrate

H4N,C6H7AsNO3,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2014) 70, 8

a=11.4287(18)Å   b=12.068(2)Å   c=7.5427(13)Å

α=90.00°   β=90.00°   γ=90.00°

Potassium 4-nitrobenzoate dihydrate

C7H8KNO6

Smith, Graham

Acta Crystallographica Section C (2015) 71, 6

a=5.8217(4)Å   b=6.9692(5)Å   c=23.8602(16)Å

α=90.00°   β=97.299(6)°   γ=90.00°

Rubidium 4-nitrobenzoate dihydrate

C7H8NO6Rb

Smith, Graham

Acta Crystallographica Section C (2015) 71, 6

a=5.9355(5)Å   b=7.0456(7)Å   c=24.204(2)Å

α=90.00°   β=98.739(8)°   γ=90.00°

2-(2-fluorophenyl)-perhydroisoindole-1,3-dione

C14H14FNO2

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 7 o253-o256

a=8.0316(4)Å   b=8.1702(4)Å   c=9.2085(5)Å

α=98.595(4)°   β=93.324(4)°   γ=97.260(4)°

2-(4-fluorophenyl)-perhydroisoindolyl-1,3-dione

C14H14FNO2

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 7 o253-o256

a=10.7554(3)Å   b=6.6709(2)Å   c=16.8466(4)Å

α=90.00°   β=95.275(3)°   γ=90.00°

2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H19NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 9 o327-o331

a=7.3557(4)Å   b=8.3630(4)Å   c=11.7128(6)Å

α=100.453(4)°   β=97.232(4)°   γ=104.042(4)°

N-(3-carboxyphenyl)cyclohexane-1,2-diimide

C15H15NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 9 o327-o331

a=6.4958(2)Å   b=12.5236(4)Å   c=16.1281(6)Å

α=90.00°   β=90.00°   γ=90.00°

N-(4-methoxyphenyl)-cyclohexane-1,2-diimide

C15H17NO3

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 9 o327-o331

a=11.7119(5)Å   b=6.6705(3)Å   c=17.2898(8)Å

α=90.00°   β=109.482(5)°   γ=90.00°

<i>rac-N</i>-(3-fluorophenyl)-<i>cis</i>-2-carboxy-1-cyclohexanamide

C14H16FNO3

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 7 o253-o256

a=11.3688(8)Å   b=8.7802(6)Å   c=12.7989(10)Å

α=90.00°   β=93.436(7)°   γ=90.00°

<i>rac</i>-<i>cis</i>-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol- 2-yl)benzoic acid monohydrate

C15H15NO4,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2012) 68, 9 o327-o331

a=13.077(2)Å   b=6.6713(7)Å   c=16.432(2)Å

α=90.00°   β=97.982(13)°   γ=90.00°

Caesium (2,4-dichlorophenoxy)acetate hemihydrate

C8H6Cl2CsO3.5

Smith, Graham

Acta Crystallographica Section C (2015) 71, 2

a=8.9877(4)Å   b=7.3441(2)Å   c=32.8250(13)Å

α=90.00°   β=90.00°   γ=90.00°

Rubidium (2,4-dichlorophenoxy)acetate hemihydrate

C8H6Cl2O3.5Rb

Smith, Graham

Acta Crystallographica Section C (2015) 71, 2

a=37.254(2)Å   b=4.3589(3)Å   c=13.2378(10)Å

α=90.000°   β=103.231(7)°   γ=90.000°

Strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid)

C21H23N2O2,C7H4NO5,2C7H5NO5

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2005) 61, 7 o464-o468

a=7.5762(9)Å   b=12.3729(9)Å   c=20.891(4)Å

α=90.00°   β=97.960(10)°   γ=90.00°

2,6-diaminopyridinium 5-sulfosalicylate monohydrate

C5H8N3,C7H5O6S,H2O

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section C (2005) 61, 9 o555-o558

a=8.4778(15)Å   b=13.085(2)Å   c=6.7562(11)Å

α=90.00°   β=105.001(14)°   γ=90.00°

Strychninium 3,5-dinitrosalicylate

C21H23N2O2,C7H3N2O7

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2005) 61, 7 o464-o468

a=7.5036(15)Å   b=17.219(3)Å   c=9.4799(19)Å

α=90.00°   β=96.905(3)°   γ=90.00°

1,4-phenylenediaminium 5-sulfosalicylate

C6H10N22,C7H4O6S2

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section C (2005) 61, 9 o555-o558

a=6.9800(14)Å   b=9.1573(15)Å   c=10.849(2)Å

α=84.618(14)°   β=97.698(16)°   γ=102.879(14)°

3-aminopyridinium hydrogen L-tartrate dihydrate

C5H7N2,C4H5O6,2H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 1 o5-o10

a=7.3073(12)Å   b=12.1065(13)Å   c=14.541(2)Å

α=90.00°   β=90.00°   γ=90.00°

Nicotinic acid hydrogen L-tartrate

C6H6NO2,C4H5O6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 1 o5-o10

a=6.5792(2)Å   b=7.7637(2)Å   c=21.6830(5)Å

α=90.00°   β=90.00°   γ=90.00°

Picolinic acid hydrogen L-tartrate monohydrate

C6H6NO2,C4H5O6,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 1 o5-o10

a=7.1536(4)Å   b=7.8273(3)Å   c=22.0145(10)Å

α=90.00°   β=90.00°   γ=90.00°

Isonipecotamide 3-nitrobenzoate

C6H13N2O,C7H4NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o614-o618

a=14.2504(15)Å   b=6.8276(5)Å   c=15.4580(17)Å

α=90.00°   β=115.410(13)°   γ=90.00°

Isonipecotamide 2-nitrobenzoate

C6H13N2O,C7H4NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o614-o618

a=29.035(3)Å   b=9.7660(9)Å   c=10.5779(12)Å

α=90.00°   β=105.020(12)°   γ=90.00°

Isonipecotamide 4-nitrobenzoate

C6H13N2O,C7H4NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o614-o618

a=7.5371(6)Å   b=12.4216(12)Å   c=15.0911(13)Å

α=90.00°   β=99.848(7)°   γ=90.00°

Isonipecotamide 3,5-dinitrobenzoate

C6H13N2O,C7H3N2O6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o614-o618

a=5.7159(5)Å   b=11.9970(12)Å   c=12.6447(10)Å

α=111.370(8)°   β=99.504(7)°   γ=100.772(8)°

Ammonium 3,5-dinitrobenzoate

H4N,C7H3N2O6

Smith, Graham

Acta Crystallographica Section C (2014) 70, 3 315-319

a=5.8050(5)Å   b=10.0561(8)Å   c=15.3077(11)Å

α=90.00°   β=90.00°   γ=90.00°

Ammonium 4-nitrobenzoate dihydrate

H4N,C7H4NO4,2(H2O)

Smith, Graham

Acta Crystallographica Section C (2014) 70, 3 315-319

a=5.9948(4)Å   b=6.9049(5)Å   c=23.8977(15)Å

α=90.00°   β=93.523(6)°   γ=90.00°

C13H10N4O8

C13H10N4O8

Lynch, D.E.Smith, G.Byriel, K.A.Kennard, C.H.L.

Acta Crystallographica Section C (1994) 50, 12 2079-2082

a=22.460(10)Å   b=10.0510(10)Å   c=13.096(6)Å

α=90°   β=90.65(3)°   γ=90°

Brucine tetrahydrate

C23H26N2O4,4H2O

Graham Smith Urs D. Wermuth Peter C. Healy Jonathan M. White

Acta Crystallographica Section C (2006) 62, 4 o203-o207

a=7.555(2)Å   b=11.531(3)Å   c=26.492(8)Å

α=90.00°   β=90.00°   γ=90.00°

Brucinium dihydrogen citrate trihydrate

C23H27N2O42,C6H7O72,3H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2005) 61, 11 o621-o624

a=9.2355(8)Å   b=9.6894(8)Å   c=17.1446(15)Å

α=75.775(2)°   β=80.917(2)°   γ=81.553(2)°

Brucine 5.25-hydrate

C23H26N2O4,5.25H2O

Graham Smith Urs D. Wermuth Peter C. Healy Jonathan M. White

Acta Crystallographica Section C (2006) 62, 4 o203-o207

a=23.351(5)Å   b=12.200(3)Å   c=16.972(4)Å

α=90.00°   β=96.202(4)°   γ=90.00°

Brucinium hydrogen L-tartrate

C23H27N2O4,C4H5O6

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2006) 62, 6 o353-o357

a=12.2719(7)Å   b=13.5151(8)Å   c=14.3814(9)Å

α=90.00°   β=90.00°   γ=90.00°

Brucinium hydrogen L-malate pentahydrate

C23H27N2O4,C4H5O5,5H2O

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2006) 62, 6 o353-o357

a=9.2915(10)Å   b=9.4337(9)Å   c=16.9287(17)Å

α=76.401(2)°   β=88.716(2)°   γ=82.104(2)°

4-chloroanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate

C6H7ClN,C9H5INO4S,H2O

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section C (2007) 63, 7 o405-o407

a=33.403(10)Å   b=5.902(5)Å   c=19.970(7)Å

α=90.00°   β=114.56(2)°   γ=90.00°

4-bromoanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate

C6H7BrN,C9H5INO4S,H2O

Graham SmithUrs D. WermuthPeter C. Healy

Acta Crystallographica Section C (2007) 63, 7 o405-o407

a=33.494(9)Å   b=5.927(4)Å   c=19.963(7)Å

α=90.00°   β=114.29(2)°   γ=90.00°

Brucine--water (1/2)

C23H26N2O4,2(H2O)

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2007) 63, 8 o489-o492

a=15.178(2)Å   b=7.4496(12)Å   c=19.751(3)Å

α=90.00°   β=112.397(3)°   γ=90.00°

8-hydroxyquinolinium 5-sulfosalicylate monohydrate

C9H8NO,C7H5O6S,H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2004) 60, 8 o575-o581

a=13.236(2)Å   b=10.6515(18)Å   c=13.549(2)Å

α=90.00°   β=119.135(3)°   γ=90.00°

Quinolinium-2-carboxylic acid 5-sulfosalicylate: quinoline-2-carboxylic acid adduct

C10H8NO2,C7H5O6S,C10H7NO2

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2004) 60, 8 o575-o581

a=8.3173(10)Å   b=11.2674(14)Å   c=26.245(3)Å

α=90.00°   β=94.284(2)°   γ=90.00°

8-hydroxyquinolinium orthanilate

C9H8NO,C6H6NO3S

Graham Smith Urs D. Wermuth Peter C. Healy

Acta Crystallographica Section C (2004) 60, 8 o600-o603

a=16.030(4)Å   b=11.726(3)Å   c=7.7024(15)Å

α=90.00°   β=100.298(17)°   γ=90.00°

8-aminoquinolinium 5-sulfosalicylate dihydrate

C9H9N2,C7H5O6S,2H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2004) 60, 8 o575-o581

a=6.9047(9)Å   b=9.2914(12)Å   c=14.5106(19)Å

α=73.240(2)°   β=84.138(3)°   γ=79.889(2)°

Quinolinium 5-sulfosalicylate trihydrate

C9H8N,C7H5O6S,3H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2004) 60, 8 o575-o581

a=29.194(2)Å   b=7.2253(5)Å   c=18.2715(13)Å

α=90.00°   β=110.5240(10)°   γ=90.00°

8-hydroxyquinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate sesquihydrate

C9H5INO4S,C9H8NO,1.5H2O

Graham Smith Urs D. Wermuth Peter C. Healy

Acta Crystallographica Section C (2004) 60, 8 o600-o603

a=15.857(4)Å   b=17.667(7)Å   c=6.977(4)Å

α=90.00°   β=95.78(4)°   γ=90.00°

4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone

C23H24O8

Smith, GrahamBartley, John P.Wang, ErtongBott, Raymond C.

Acta Crystallographica Section C (2001) 57, 11 1336-1337

a=12.291(5)Å   b=13.075(5)Å   c=7.099(3)Å

α=93.85(5)°   β=104.33(4)°   γ=111.52(3)°

4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone

C23H24O8

Smith, GrahamBartley, John P.Wang, ErtongBott, Raymond C.

Acta Crystallographica Section C (2001) 57, 11 1336-1337

a=14.238(4)Å   b=11.053(5)Å   c=14.426(5)Å

α=90.00°   β=111.979(18)°   γ=90.00°

2-aminopyrimidinium hydrogen 4,5-dichlorophthalate

C4H6N3,C8H3Cl2O4

Smith, GrahamWermuth, Urs D.White, Jonathan M.

Acta Crystallographica Section C (2009) 65, 3 o103-o107

a=6.9738(4)Å   b=9.4413(4)Å   c=10.8900(7)Å

α=97.420(4)°   β=100.527(5)°   γ=109.473(5)°

Nicotinamidium hydrogen 4,5-dichlorophthalate

C6H7N2O,C8H3Cl2O4

Smith, GrahamWermuth, Urs D.White, Jonathan M.

Acta Crystallographica Section C (2009) 65, 3 o103-o107

a=11.4303(3)Å   b=13.7933(3)Å   c=9.2082(2)Å

α=90.00°   β=99.454(2)°   γ=90.00°

Isonicotinamidinium hydrogen 4,5-dichlorophthalate methyl 4,5-dichlorophthalic acid adduct

C6H7N2O,C8H3Cl2O4,C9H6Cl2O4

Smith, GrahamWermuth, Urs D.White, Jonathan M.

Acta Crystallographica Section C (2009) 65, 3 o103-o107

a=11.9645(4)Å   b=26.1393(6)Å   c=9.3213(3)Å

α=90°   β=122.509(3)°   γ=90°

Quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate

C23H32ClN3O2,2C8H3Cl2O4,4H2O

Smith, GrahamWermuth, Urs D.Sagatys, Dalius S.

Acta Crystallographica Section C (2009) 65, 4 o131-o133

a=10.6392(6)Å   b=11.6737(5)Å   c=18.2030(12)Å

α=77.961(5)°   β=89.549(5)°   γ=76.432(5)°

Sodium 4-chloro-3-nitrobenzoate monohydrate

C7H5ClNNaO5

Smith, Graham

Acta Crystallographica Section C (2013) 69, 12 1472-1477

a=7.9406(4)Å   b=6.8025(4)Å   c=33.2700(17)Å

α=90.00°   β=90.00°   γ=90.00°

Potassium 4-nitroanthranilate monohydrate

C7H7KN2O5

Smith, Graham

Acta Crystallographica Section C (2013) 69, 12 1472-1477

a=11.0753(6)Å   b=7.3693(4)Å   c=11.8371(7)Å

α=90.00°   β=110.144(6)°   γ=90.00°

Sodium 4-nitroanthranilate dihydrate

C7H9N2NaO6

Smith, Graham

Acta Crystallographica Section C (2013) 69, 12 1472-1477

a=6.6110(6)Å   b=6.9443(7)Å   c=11.7453(11)Å

α=75.054(8)°   β=85.243(7)°   γ=67.249(9)°

Bromodragonfly 3,5-dinitrosalicylate

C13H13BrNO2,C7H3N2O7

Smith, GrahamCotton, Marcus S.Wermuth, Urs D.Boyd, Sue E.

Acta Crystallographica Section C (2010) 66, 5 o252-o255

a=6.9596(3)Å   b=17.2201(9)Å   c=8.7147(4)Å

α=90.00°   β=103.315(4)°   γ=90.00°

Isonipecotamide hydrogen 4,5-dichlorophthalate

C6H13N2O,C8H3Cl2O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2011) 67, 7 o259-o264

a=6.6897(4)Å   b=9.7392(5)Å   c=24.1222(13)Å

α=90.00°   β=92.479(4)°   γ=90.00°

Isonipecotamide hydrogen 4-nitrophthalate

C6H13N2O,C8H4NO6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2011) 67, 7 o259-o264

a=5.8637(5)Å   b=11.2707(8)Å   c=23.0268(19)Å

α=90.00°   β=93.082(8)°   γ=90.00°

Isonipecotamide hydrogen 5-nitroisophthalate

C6H13N2O,C8H4NO6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2011) 67, 7 o259-o264

a=9.4117(4)Å   b=14.3552(5)Å   c=11.4490(5)Å

α=90.00°   β=103.787(4)°   γ=90.00°

Isonipecotamide terephthalate dihydrate

C8H4O4,2(C6H13N2O),2(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2011) 67, 7 o259-o264

a=6.5099(5)Å   b=7.7777(6)Å   c=11.6865(12)Å

α=76.429(8)°   β=76.968(7)°   γ=80.885(7)°

Brucinium 2-(picramino)benzoate monohydrate

C23H27N2O4,C13H7N4O8,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2011) 67, 8 o334-o336

a=12.4407(3)Å   b=19.1542(5)Å   c=14.6744(4)Å

α=90.00°   β=90.00°   γ=90.00°