Structures by: Wermuth U. D.

Total: 201

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°

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)°

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°

1,1'-biphenyl-4,4'-diaminium bis(4'-amino-1,1'-biphenyl-4-aminium) tetrakis(2-carboxy-4,6-dinitrophenolate) ethanol disolvate

C12H14N22,2C12H13N2,4C7H3N2O7,2C2H6O

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2006) 62, 7 o402-o404

a=18.862(2)Å   b=10.5138(11)Å   c=19.081(2)Å

α=90.00°   β=109.154(2)°   γ=90.00°

Quinolinium hydrogen L-(+)-tartrate monohydrate

C9H8N,C4H5O6,H2O

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2006) 62, 12 o694-o698

a=7.2546(6)Å   b=9.4922(8)Å   c=19.4571(16)Å

α=90.00°   β=90.00°   γ=90.00°

Quinaldic acid-L-(+)-tartaric acid (2/1)

2(C10H7NO2),C4H6O6

Graham SmithUrs D. WermuthJonathan M. White

Acta Crystallographica Section C (2006) 62, 12 o694-o698

a=4.9730(12)Å   b=10.446(3)Å   c=11.655(4)Å

α=100.950(5)°   β=98.903(6)°   γ=106.388(5)°

Diethylaminium hydrogen 4,5-dichlorophthalate

C4H12N,C8H3Cl2O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 7 o374-o380

a=8.9588(13)Å   b=9.9042(11)Å   c=17.062(3)Å

α=90.00°   β=104.580(14)°   γ=90.00°

N-butylaminium 4,5-dichlorophthalate monohydrate

2(C4H12N),C8H2Cl2O42,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 7 o374-o380

a=8.1362(6)Å   b=9.3043(11)Å   c=15.4060(10)Å

α=78.678(7)°   β=85.846(6)°   γ=67.777(9)°

Piperidinium 4,5-dichlorophthalate monohydrate

2(C5H12N),C8H2Cl2O42,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 7 o374-o380

a=13.8481(10)Å   b=10.5937(8)Å   c=14.6129(10)Å

α=90.00°   β=99.903(7)°   γ=90.00°

4-(phenyldiazenyl)anilinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate

C12H12N3,C4H5O6

Smith, GrahamWermuth, Urs D.Young, David J.

Acta Crystallographica Section C (2010) 66, 7 o345-o348

a=6.1710(3)Å   b=7.4134(3)Å   c=18.2438(6)Å

α=91.754(3)°   β=91.308(3)°   γ=108.135(4)°

2-carboxyquinolinium hydrogen 4,5-dichlorophthalate quinaldic acid monohydrate

C10H8NO2,C8H3Cl2O4,C10H7NO2,H2O

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

Acta Crystallographica Section C (2008) 64, 3 o180-o183

a=7.1893(9)Å   b=10.1172(13)Å   c=19.520(3)Å

α=87.558(2)°   β=88.577(2)°   γ=83.996(2)°

8-aminoquinolinium hydrogen 4,5-dichlorophthalate

C9H9N2,C8H3Cl2O4

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

Acta Crystallographica Section C (2008) 64, 3 o180-o183

a=7.2003(6)Å   b=7.3039(6)Å   c=29.438(3)Å

α=90.00°   β=90.00°   γ=90.00°

8-hydroxyquinolinium hydrogen 4,5-dichlorophthalate

C9H8NO,C8H3Cl2O4

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

Acta Crystallographica Section C (2008) 64, 3 o180-o183

a=6.8915(3)Å   b=7.2887(2)Å   c=30.8009(8)Å

α=90.00°   β=90.00°   γ=90.00°

4-(phenylazo)anilinium hydrogen 3-nitrophthalate

C12H12N3,C8H4NO6

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

Acta Crystallographica Section C (2008) 64, 3 o123-o127

a=17.873(2)Å   b=7.9729(10)Å   c=13.3054(16)Å

α=90.00°   β=98.198(2)°   γ=90.00°

4-(phenylazo)anilinium hydrogen 5-nitroisophthalate monohydrate

C12H12N3,C8H4NO6,H2O

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

Acta Crystallographica Section C (2008) 64, 3 o123-o127

a=14.0965(15)Å   b=6.7602(7)Å   c=43.091(5)Å

α=90.00°   β=90.00°   γ=90.00°

4-phenylazoanilinium hydrogen 4-nitrophthalate

C12H12N3,C8H4NO6

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

Acta Crystallographica Section C (2008) 64, 3 o123-o127

a=12.950(3)Å   b=7.5571(18)Å   c=19.364(5)Å

α=90.00°   β=100.371(5)°   γ=90.00°

C5H7N2,C12H17O6

C5H7N2,C12H17O6

Smith, GrahamBott, Raymond C.Wermuth, Urs D.

Acta Crystallographica Section C (2000) 56, 12 1505-1506

a=8.767(2)Å   b=12.228(2)Å   c=8.600(3)Å

α=94.12(2)°   β=90.07(3)°   γ=105.440(10)°

4-fluoroanilinium 5-sulfosalicylate monohydrate

C6H7FN,C7H5O6S,H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2005) 61, 2 o105-o109

a=6.7978(7)Å   b=12.5513(12)Å   c=8.5306(8)Å

α=90.00°   β=96.529(2)°   γ=90.00°

4-chloroanilinium 5-sulfosalicylate hemihydrate

C6H7ClN,C7H5O6S,0.5H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2005) 61, 2 o105-o109

a=7.455(4)Å   b=11.849(7)Å   c=33.848(19)Å

α=90.00°   β=90.817(12)°   γ=90.00°

4-bromoanilinium 5-sulfosalicylate monohydrate

C6H7BrN,C7H5O6S,H2O

Graham Smith Urs D. Wermuth Jonathan M. White

Acta Crystallographica Section C (2005) 61, 2 o105-o109

a=12.7810(19)Å   b=6.9860(10)Å   c=35.454(5)Å

α=90.00°   β=90.00°   γ=90.00°

2-carboxyanilinium hydrogen 4,5-dichlorophthalate dihydrate

C7H8NO2,C8H3Cl2O4,2H2O

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

Acta Crystallographica Section C (2008) 64, 9 o532-o536

a=6.7684(5)Å   b=6.9561(4)Å   c=18.0001(14)Å

α=86.525(6)°   β=87.481(6)°   γ=86.190(6)°

3-carboxyanilinium hydrogen 4,5-dichlorophthalate

C7H8NO2,C8H3Cl2O4

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

Acta Crystallographica Section C (2008) 64, 9 o532-o536

a=12.9028(7)Å   b=7.4091(4)Å   c=32.2323(17)Å

α=90.00°   β=96.0120(10)°   γ=90.00°

4-carboxyanilinium hydrogen 4,5-dichlorophthalate

C7H8NO2,C8H3Cl2O4

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

Acta Crystallographica Section C (2008) 64, 9 o532-o536

a=12.8552(12)Å   b=7.5003(7)Å   c=31.932(3)Å

α=90.00°   β=94.785(2)°   γ=90.00°

Quinacrine 5-sulfosalicylate dihydrate

C23H32ClN3O2,C7H4O6S2,2H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2008) 64, 8 o428-o430

a=10.1753(3)Å   b=30.8461(7)Å   c=10.3671(2)Å

α=90.00°   β=99.966(3)°   γ=90.00°

Guanidinium hydrogen isophthalate monohydrate

CH6N3,C8H5O4,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o575-o580

a=20.970(3)Å   b=5.1421(6)Å   c=22.241(2)Å

α=90.00°   β=107.577(14)°   γ=90.00°

Isonipecotamide 3,5-dinitrosalicylate (polymorph 1)

C6H13N2O,C7H3N2O7

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o609-o613

a=11.7131(12)Å   b=12.6450(11)Å   c=11.8521(14)Å

α=90.00°   β=118.196(14)°   γ=90.00°

Isonipocotamide picrate

C6H13N2O,C6H2N3O7

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o609-o613

a=13.4426(11)Å   b=13.7495(13)Å   c=8.3662(15)Å

α=90.00°   β=100.752(13)°   γ=90.00°

Isonipecotamide 3,5-dinitrosalicylate: polymorph 2

C7H3N2O7,C6H13N2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o609-o613

a=6.4628(4)Å   b=10.2375(5)Å   c=23.8964(12)Å

α=98.644(4)°   β=96.905(5)°   γ=100.753(5)°

Bis(guanidinium) terephthalate trihydrate

2(CH6N3),C8H4O42,3(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o575-o580

a=18.0402(7)Å   b=5.1420(2)Å   c=18.1496(7)Å

α=90.00°   β=110.297(4)°   γ=90.00°

Guanidinium cyclohexane-1,2-dicarboxylate

2(CH6N3),C8H10O42

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2010) 66, 12 o575-o580

a=10.7425(10)Å   b=16.0538(15)Å   c=8.5067(8)Å

α=90.00°   β=97.224(9)°   γ=90.00°

Isonipecotamide adipate dihydrate

2(C6H13N2O),C6H8O4,2(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2013) 69, 10 1192-1195

a=5.8454(4)Å   b=7.7696(5)Å   c=13.0987(7)Å

α=75.336(5)°   β=81.763(5)°   γ=78.448(5)°

Isonipecotamide hydrogen oxalate dihydrate

C6H13N2O,C2HO4,2(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section C (2013) 69, 10 1192-1195

a=5.7265(5)Å   b=28.646(2)Å   c=7.4941(7)Å

α=90.00°   β=100.327(9)°   γ=90.00°

4-(2-Hydroxyethyl)anilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate

C8H12NO,C7H5O6S,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2009) 65, 12 o3209

a=7.7412(6)Å   b=8.7977(6)Å   c=12.8330(8)Å

α=102.169(6)°   β=98.538(6)°   γ=101.366(6)°

Guanidinium quinoline-2-carboxylate

CH6N3,C10H6NO2

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2009) 65, 12 o3220

a=7.4318(3)Å   b=42.2105(18)Å   c=7.3035(4)Å

α=90.00°   β=94.045(4)°   γ=90.00°

1,10-phenanthrolinium hydrogen 4,5-dichlorophthalate

C12H9N2,C8H3Cl2O4

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

Acta Crystallographica Section E (2009) 65, 10 o2333

a=6.4598(11)Å   b=7.3696(12)Å   c=18.302(3)Å

α=90.00°   β=94.978(3)°   γ=90.00°

Phenylazoaniline picrate

C12H12N3,C6H2N3O7

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

Acta Crystallographica Section E (2011) 67, 4 o878

a=5.4506(2)Å   b=16.8974(5)Å   c=19.9386(6)Å

α=90.00°   β=94.063(3)°   γ=90.00°

Isponipecotamide biphenyl-4,4'-disulfonate

2(C6H13N2O),C12H8O6S2

Smith, GrahamWermuth, Urs D.Young, David J.

Acta Crystallographica Section E (2010) 66, 12 o3160-o3161

a=8.2530(4)Å   b=16.0418(8)Å   c=16.7408(11)Å

α=112.255(5)°   β=97.166(5)°   γ=101.714(4)°

Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc

C24H20I2N4O4Zn

Smith, GrahamWermuth, Urs D.Williams, Michael L.

Acta Crystallographica Section E (2011) 67, 3 m359

a=18.2091(2)Å   b=15.8998(3)Å   c=19.0327(3)Å

α=90.00°   β=90.00°   γ=90.00°

4-chloroanilinium hydrogen 4,5-dichlorophthalate

C6H7ClN,C8H3Cl2O4

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

Acta Crystallographica Section E (2009) 65, 9 o2111

a=12.8171(8)Å   b=7.5954(3)Å   c=16.0909(6)Å

α=90.00°   β=109.815(5)°   γ=90.00°

4-(2-Hydroxyethyl)anilinium 3,5-dinitrobenzoate

C8H12NO,C7H3N2O6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2009) 65, 9 o2109

a=15.9566(19)Å   b=5.7844(5)Å   c=17.4118(14)Å

α=90.00°   β=102.811(10)°   γ=90.00°

2,4-diiodoaniline

C6H5I2N

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2009) 65, 9 o2108

a=4.38700(10)Å   b=10.9626(3)Å   c=16.9778(4)Å

α=90.00°   β=90.00°   γ=90.00°

1-naphthylamine-7-sulfonic acid monohydrate; 1,7-Cleve's acid monoydrate

C10H9NO3S,H2O

Smith, GrahamWermuth, Urs D.Young, David J.

Acta Crystallographica Section E (2009) 65, 9 o2110

a=7.1616(3)Å   b=16.4608(7)Å   c=8.9059(3)Å

α=90°   β=90°   γ=90°

Sodium <i>trans</i>-2-nitrocinnamate dihydrate

C9H10NNaO6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2009) 65, 9 m1048

a=19.4179(7)Å   b=3.6899(2)Å   c=14.8738(7)Å

α=90.00°   β=92.239(4)°   γ=90.00°

Ethylenediaminium 4,5-dichlorophthalate

C2H10N22,C8H2Cl2O42

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 1 o235

a=12.8920(10)Å   b=8.3881(5)Å   c=11.8873(8)Å

α=90.00°   β=104.761(7)°   γ=90.00°

Isopropylaminium 2-carboxy-4,5-dichlorobenzoate

C3H10N,C8H3Cl2O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 1 o133

a=5.8362(7)Å   b=21.040(2)Å   c=10.3641(13)Å

α=90.00°   β=95.064(12)°   γ=90.00°

Bis[2-(2,4-dinitrobenzyl)pyridinium] biphenyl-4,4'-disulfonate trihydrate

2(C12H10N3O4),C12H8O6S22,3(H2O)

Smith, GrahamWermuth, Urs D.Young, David J.

Acta Crystallographica Section E (2010) 66, 5 o1184-o1185

a=8.3897(3)Å   b=10.6455(4)Å   c=11.7405(5)Å

α=97.879(3)°   β=96.926(3)°   γ=112.066(4)°

4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate

C12H11N2O2,C7H4NO5

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 5 o1173

a=8.3287(5)Å   b=10.8219(7)Å   c=11.3896(8)Å

α=65.160(6)°   β=88.286(5)°   γ=70.553(6)°

Γ-picoline hydrogen 4,5-dichlorophthalate monohydrate

C6H8N,C8H3Cl2O4,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 6 o1254

a=3.8398(3)Å   b=29.5531(17)Å   c=12.9855(7)Å

α=90°   β=90.054(6)°   γ=90°

Guanidinium phenylacetate

CH6N3,C8H7O2

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 8 o1947

a=16.8418(10)Å   b=16.8418(10)Å   c=7.8372(6)Å

α=90.00°   β=90.00°   γ=90.00°

Guanidinium 3-nitrobenzoate

CH6N3,C7H4NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 8 o1946

a=7.3978(12)Å   b=10.1302(12)Å   c=13.7118(17)Å

α=90.00°   β=90.00°   γ=90.00°

2-(2,4-Dinitrobenzyl)pyridinium 2-hydroxy-3,5-dinitrobenzoate

C12H10N3O4,C7H3N2O7

Smith, GrahamWermuth, Urs D.Young, David J.

Acta Crystallographica Section E (2010) 66, 8 o1895

a=7.1550(2)Å   b=21.7356(5)Å   c=13.2080(4)Å

α=90.00°   β=104.424(3)°   γ=90.00°

Guanidinium phenylarsonate guanidine dihyrate

CH6N3,C6H6AsO3,CH5N3,2(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 8 o1893-o1894

a=18.6545(14)Å   b=7.6394(3)Å   c=12.6319(10)Å

α=90.00°   β=121.856(10)°   γ=90.00°

Imidazolium mucate dihydrate

2(C3H5N2),C6H8O82,2(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 9 o2399

a=6.9184(4)Å   b=7.1336(4)Å   c=9.3652(5)Å

α=92.000(5)°   β=100.559(5)°   γ=109.835(6)°

Isonipecotamide acetate monohydrate

C6H13N2O,C2H3O2,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 12 o3162

a=5.8219(2)Å   b=7.7675(3)Å   c=12.4022(5)Å

α=81.088(4)°   β=78.763(4)°   γ=76.202(4)°

Isonipecotamide phenylacetate hemihydrate

C6H13N2O,C8H7O2,0.5(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2010) 66, 12 o3260

a=12.3107(9)Å   b=25.214(2)Å   c=9.5402(10)Å

α=90.00°   β=90.469(9)°   γ=90.00°

Isonipecotamide 5-nitrosalicylate

C6H13N2O,C7H4NO5

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 1 o122

a=15.0442(10)Å   b=5.5851(3)Å   c=17.1939(10)Å

α=90.00°   β=91.466(6)°   γ=90.00°

<i>rac</i>-Ammonium <i>cis</i>-2-carboxycyclohexane-1-carboxylate

H4N,C8H11O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 1 o174

a=15.4908(13)Å   b=5.3475(3)Å   c=12.1716(9)Å

α=90.00°   β=109.795(9)°   γ=90.00°

Cobalt(II) 3,5-dinitrosalicylate tetrahydrate

C14H16Co2N4O20,2(H2O)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 1 m119-m120

a=6.8188(3)Å   b=7.7366(4)Å   c=11.3671(5)Å

α=92.658(4)°   β=96.313(4)°   γ=94.515(4)°

Isonipecotamide hydrogen phthalate-phthalic acid adduct

C6H13N2O,C8H5O4,C8H6O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 3 o566

a=8.7857(4)Å   b=11.7907(6)Å   c=12.3188(6)Å

α=62.496(5)°   β=85.916(4)°   γ=82.604(4)°

N-picryl(phenylazo)aniline

C18H12N6O6

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 4 o948

a=7.4255(4)Å   b=7.6613(4)Å   c=16.1510(9)Å

α=90.00°   β=98.160(5)°   γ=90.00°

Ethylenediaminium 4,4'-sulfonyldibenzoate

C2H10N22,C14H8O6S2

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 11 o2966

a=15.2860(8)Å   b=4.8436(2)Å   c=11.9803(6)Å

α=90.00°   β=111.812(6)°   γ=90.00°

Cesium 4-nitroanthranilate monohydrate

C7H7CsN2O5

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 8 m1047-m1048

a=15.3615(3)Å   b=6.9573(2)Å   c=18.3714(4)Å

α=90.00°   β=97.903(2)°   γ=90.00°

<i>rac</i>-2-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate

C5H7N2,C8H11O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 8 o1900

a=12.4709(5)Å   b=10.4191(5)Å   c=10.6451(5)Å

α=90.00°   β=101.250(4)°   γ=90.00°

Rubidium <i>trans</i>-2-nitrocinnamate 1.5 hydrate

C9H9NO5.5Rb

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 11 m1594-m1595

a=7.02312(14)Å   b=7.77072(15)Å   c=41.1902(8)Å

α=89.5447(15)°   β=88.6733(16)°   γ=84.8679(16)°

Guanidinium 4,5-dichlorophthalate monohydrate

2(CH6N3),C8H2Cl2O42,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 7 o1645

a=15.9797(5)Å   b=6.9432(2)Å   c=15.2266(5)Å

α=90.00°   β=94.650(3)°   γ=90.00°

1,1,3,3-Tetraethylisoindolin-2-ium chloride

C16H26N,Cl

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2012) 68, 3 o659

a=12.7282(4)Å   b=14.0676(4)Å   c=17.0771(5)Å

α=90.00°   β=90.00°   γ=90.00°

Isonipecotamide hydrogen cyclohexane-1,2-dicarboxylate

C6H13N2O,C8H11O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2012) 68, 3 o660

a=19.0097(14)Å   b=9.0667(7)Å   c=9.1999(8)Å

α=90.00°   β=92.022(7)°   γ=90.00°

Bis(benzylaminium) 4,5-dichlorophthalate monohydrate

2(C7H10N),C8H2Cl2O42,H2O

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2012) 68, 6 o1928

a=17.3005(16)Å   b=10.0084(7)Å   c=13.6990(12)Å

α=90.00°   β=112.641(11)°   γ=90.00°

<i>t</i>-butylaminium hydrogen 4,5-dichlorophthalate

C4H12N,C8H3Cl2O4,C4H12N

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 9 o2461

a=6.1778(2)Å   b=12.7158(4)Å   c=17.7125(7)Å

α=90.00°   β=96.784(4)°   γ=90.00°

Rubidium 5-nitrosalicylate monohydrate

C7H6NO6Rb

Smith, GrahamWermuth, Urs D.Williams, Michael L.

Acta Crystallographica Section E (2011) 67, 10 m1400

a=11.9738(5)Å   b=12.0230(4)Å   c=6.9571(3)Å

α=90.00°   β=105.401(4)°   γ=90.00°

4-methoxyanilinium hydrogen 4,5-dichlorophthalate

C7H10NO,C8H3Cl2O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2013) 69, 10 o1546

a=7.5319(8)Å   b=12.9302(14)Å   c=32.3268(18)Å

α=90.00°   β=90.00°   γ=90.00°

4-(4-nitrobenzyl)pyridinium 5-sulfosalicylate

C12H11N2O2,C7H5O6S

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2013) 69, 2 o206

a=7.4154(7)Å   b=12.8896(10)Å   c=19.649(2)Å

α=90.00°   β=92.848(9)°   γ=90.00°

<i>rac-cis</i>-Cyclohexane-1,2-dicarboxylic acid--isoquinoline (1/1)

C9H7N,C8H12O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 9 o2261

a=6.2459(3)Å   b=11.4238(6)Å   c=11.9970(6)Å

α=64.082(5)°   β=77.793(4)°   γ=82.756(4)°

Hexaaquamagnesium 5-sulfosalicylate dihydrate

H12MgO62,2(C7H5O6S),2(H2O)

Smith, GrahamWermuth, Urs D.Williams, Michael L.

Acta Crystallographica Section E (2011) 67, 9 m1194

a=6.8694(4)Å   b=6.9069(4)Å   c=14.3950(8)Å

α=77.472(5)°   β=78.120(4)°   γ=70.131(5)°

4-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate

C5H7N2,C8H11O4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2011) 67, 10 o2794

a=12.1359(3)Å   b=9.8351(3)Å   c=11.1850(3)Å

α=90.00°   β=90.00°   γ=90.00°

Lithium hydrogen <i>cis</i>-cylohexanedicarboxylate dihydrate

C8H15LiO6

Smith, GrahamWermuth, Urs D.Williams, Michael L.

Acta Crystallographica Section E (2011) 67, 12 m1658

a=16.2749(5)Å   b=5.4568(2)Å   c=12.0438(5)Å

α=90.00°   β=97.533(3)°   γ=90.00°

Dapsone-1,3,5-trinitrobenzene 1:2 adduct

C12H12N2O2S,2(C6H3N3O6)

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2012) 68, 2 o494

a=8.3196(2)Å   b=18.3524(5)Å   c=18.6285(5)Å

α=83.577(2)°   β=87.539(2)°   γ=88.237(2)°

1:1 Dapsone-3,5-dinitrobenzoic acid adduct

C7H4N2O6,C12H12N2O2S

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2012) 68, 3 o669

a=5.8222(4)Å   b=15.5982(10)Å   c=10.7299(9)Å

α=90.00°   β=97.693(6)°   γ=90.00°

3-azaniumyl-7-carboxytricyclo[2.2.1.0^2,6^]heptane-3-carboxylate monohydrate

C9H11NO4,H2O

Smith, GrahamWermuth, Urs D.Jenkins, Ian D.

Acta Crystallographica Section E (2012) 68, 5 o1468-o1469

a=7.7565(2)Å   b=11.4103(2)Å   c=10.3339(3)Å

α=90.00°   β=94.888(2)°   γ=90.00°

Sulfamethazine 4-nitrobenzoic acid (1:1) adduct

C7H5NO4,C12H14N4O2S

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2012) 68, 6 o1649-o1650

a=8.3483(3)Å   b=13.8354(6)Å   c=17.9813(8)Å

α=90.810(4)°   β=92.841(4)°   γ=96.090(4)°

Sulfamethazine 2-nitrobenzoic acid (1:1)

C12H14N4O2S,C7H5NO4

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2013) 69, 2 o234

a=14.2945(4)Å   b=8.0115(3)Å   c=19.0962(5)Å

α=90.00°   β=90.00°   γ=90.00°

Sulfamethazine 3,5-dinitrosalicylate

C12H15N4O2S,C7H3N2O7

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2013) 69, 4 o472

a=8.1691(3)Å   b=32.0736(9)Å   c=8.9869(3)Å

α=90.00°   β=112.258(5)°   γ=90.00°

Dapsone <i>p</i>-toluenesulfonate

C12H13N2O2S,C7H7O3S

Smith, GrahamWermuth, Urs D.

Acta Crystallographica Section E (2014) 70, 1 o37

a=5.9516(9)Å   b=25.147(3)Å   c=12.4506(15)Å

α=90.00°   β=94.908(11)°   γ=90.00°

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°