Crystal Structures List

C₃₃H₃₆Cl₂Ir₂Mo₂O₁₀

Randles, Michael D.Lucas, Nigel T.Cifuentes, Marie P.Humphrey, Mark G.Smith, Matthew K.Willis, Anthony C.Samoc, Marek

Macromolecules (2007) 40, 22 7807

a=9.35730(10)Å b=27.8567(3)Å c=14.4282(2)Å

α=90° β=98.6340(6)° γ=90°

C_42.50H₅₆Cl₁Ir₂Mo₂N₂O_12.50

Randles, Michael D.Lucas, Nigel T.Cifuentes, Marie P.Humphrey, Mark G.Smith, Matthew K.Willis, Anthony C.Samoc, Marek

Macromolecules (2007) 40, 22 7807

a=9.2483(2)Å b=14.1908(4)Å c=37.5723(10)Å

α=90° β=90.8360(14)° γ=90°

HT-TDA-HT

C₂₂H₃₀N₂S₃

Pang, Hao Skabara, Peter J.Crouch, David J.Duffy, Warren Heeney, Martin McCulloch, Iain Coles, Simon J.Horton, Peter N.Hursthouse, Michael B.

Macromolecules (2007) 40, 18 6585

a=38.741(4)Å b=12.0548(14)Å c=9.6188(11)Å

α=90.00° β=90.00° γ=90.00°

HS-TDA-HS

C₂₂H₃₀N₂SSe₂

Pang, Hao Skabara, Peter J.Crouch, David J.Duffy, Warren Heeney, Martin McCulloch, Iain Coles, Simon J.Horton, Peter N.Hursthouse, Michael B.

Macromolecules (2007) 40, 18 6585

a=38.796(3)Å b=12.1462(5)Å c=9.6432(6)Å

α=90.00° β=90.00° γ=90.00°

EDTT-TDA-EDTT

C₁₄H₁₀N₂S₇

Pang, Hao Skabara, Peter J.Crouch, David J.Duffy, Warren Heeney, Martin McCulloch, Iain Coles, Simon J.Horton, Peter N.Hursthouse, Michael B.

Macromolecules (2007) 40, 18 6585

a=9.0402(2)Å b=15.3519(5)Å c=11.8801(4)Å

α=90.00° β=91.095(2)° γ=90.00°

DT-TDA-DT

C₃₀H₄₆N₂S₃

Pang, Hao Skabara, Peter J.Crouch, David J.Duffy, Warren Heeney, Martin McCulloch, Iain Coles, Simon J.Horton, Peter N.Hursthouse, Michael B.

Macromolecules (2007) 40, 18 6585

a=7.6833(2)Å b=10.8879(12)Å c=18.395(5)Å

α=92.007(18)° β=100.266(10)° γ=105.411(7)°

C₁₆H₂₄MgN₂O₂

Tang, Hui-Yi Chen, Hsuan-Ying Huang, Jui-Hsien Lin, Chu-Chieh

Macromolecules (2007) 40, 25 8855

a=9.729(6)Å b=9.983(6)Å c=10.716(6)Å

α=72.516(12)° β=65.094(11)° γ=68.434(11)°

Ni(II)_bis(methoxybenzylphenyl_benzimidazole)

C₄₄H₄₀Br₂N₄NiO₄

Tarte, Naresh H.Cho, Hyun Yong Woo, Seong Ihl

Macromolecules (2007) 40, 23 8162

a=14.270(3)Å b=12.986(2)Å c=21.712(3)Å

α=90.00° β=102.302(10)° γ=90.00°

Ni(II)_bis(difluorophenyl_benzimidazole)

C₃₀H₂₂Br₂F₄N₆Ni

Tarte, Naresh H.Cho, Hyun Yong Woo, Seong Ihl

Macromolecules (2007) 40, 23 8162

a=10.0205(2)Å b=24.0291(5)Å c=13.9318(3)Å

α=90.00° β=110.2910(10)° γ=90.00°

C₂₂H₂₀N₂O₂

Tarte, Naresh H.Cho, Hyun Yong Woo, Seong Ihl

Macromolecules (2007) 40, 23 8162

a=9.6638(2)Å b=10.4904(2)Å c=18.0444(3)Å

α=90.00° β=91.0620(10)° γ=90.00°

C₃₁H₂₀O₄

Al-Kaysi, Rabih O.Dillon, Robert J.Kaiser, J. Michael Mueller, Leonard J.Guirado, Gonzalo Bardeen, Christopher J.

Macromolecules (2007) 40, 25 9040

a=15.310(3)Å b=11.863(2)Å c=12.988(2)Å

α=90.00° β=107.740(2)° γ=90.00°

C₃₁H₂₀O₄

Al-Kaysi, Rabih O.Dillon, Robert J.Kaiser, J. Michael Mueller, Leonard J.Guirado, Gonzalo Bardeen, Christopher J.

Macromolecules (2007) 40, 25 9040

a=13.8475(6)Å b=16.2027(7)Å c=19.3485(9)Å

α=90.00° β=90.00° γ=90.00°

T-dinonylT2-T

C₃₂H₄₄S₄

San Miguel, Lidaris Matzger, Adam J.

Macromolecules (2007) 40, 26 9233

a=4.80255(9)Å b=9.70196(18)Å c=17.3834(3)Å

α=95.1950(10)° β=99.1370(10)° γ=97.2320(10)°

{1[(1-benzimidazolyl)methyl]-4[(1-pyrazolyl)methyl]benzene}2, succinic acid

(C₁₈H₁₆N₄)₂(C₄H₆O₄)

Aakeröy, Christer B.Fasulo, Meg E.Desper, John

Molecular Pharmaceutics (2007) 4, 3 317

a=5.6367(4)Å b=32.910(3)Å c=9.4476(7)Å

α=90.00° β=102.342(6)° γ=90.00°

3-(4-pyridyl)-pyrazole, 2,6-difluorobenzoic acid

(C₈H₇N₃)(C₇H₄F₂O₂)

Aakeröy, Christer B.Fasulo, Meg E.Desper, John

Molecular Pharmaceutics (2007) 4, 3 317

a=7.1555(8)Å b=17.958(2)Å c=10.9686(12)Å

α=90.00° β=101.301(2)° γ=90.00°

MF-34-33 3-(4-pyridyl)pyrazole, (Me5-PhCOOH)2

(C₈H₇N₃)(C₁₂H₁₆O₂)₂

Aakeröy, Christer B.Fasulo, Meg E.Desper, John

Molecular Pharmaceutics (2007) 4, 3 317

a=8.8864(5)Å b=11.9875(7)Å c=13.7015(8)Å

α=99.3800(10)° β=93.1910(10)° γ=107.5560(10)°

1-[(1-benzimidazolyl)methyl]-3-[(1-pyrazolyl)methyl]benzene (3,5-diNO2PhCOOH)2

(C₁₈H₁₆N₄)(C₇H₄N₂O₆)₂

Aakeröy, Christer B.Fasulo, Meg E.Desper, John

Molecular Pharmaceutics (2007) 4, 3 317

a=9.7657(6)Å b=11.7691(7)Å c=14.0803(9)Å

α=86.2270(10)° β=74.1630(10)° γ=86.2020(10)°

Theophylline:sorbic acid cocrystal (1:1)

C₇H₈N₄O_2,C₆H₈O₂

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=8.7478(2)Å b=6.53610(10)Å c=12.5842(2)Å

α=90.00° β=107.2960(10)° γ=90.00°

Theophylline:salicylic acid cocrystal (1:1)

C₇H₉N₄O_2,C₇H₆O₃

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=6.9183(3)Å b=25.9086(10)Å c=7.9749(4)Å

α=90.00° β=104.754(3)° γ=90.00°

Theophylline:1-hydroxy-2-naphthoic acid cocrystal (1:1)

C₇H₈N₄O_2,C₁₁H₈O₃

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=11.814(3)Å b=31.707(8)Å c=8.920(2)Å

α=90.00° β=98.072(7)° γ=90.00°

Theophylline:4-hydroxybenzoic acid cocrystal (1:1)

C₇H₈N₄O_2,C₇H₆O₃

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=7.1201(18)Å b=7.928(2)Å c=24.763(6)Å

α=90.00° β=91.660(7)° γ=90.00°

Theophylline:acetaminophen cocrystal (1:1)

C₇H₈N₄O_2,C₈H₉NO₂

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=8.7337(2)Å b=15.3838(3)Å c=11.5271(3)Å

α=90.00° β=99.256(2)° γ=90.00°

Anhydrous aminophylline

C₇H₇N₄O_2,0.5(C₂H₁₀N₂)

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=8.7804(5)Å b=6.5989(4)Å c=16.0041(10)Å

α=90.00° β=102.292(4)° γ=90.00°

Aminophylline hydrate

2(C₇H₇N₄O₂)_,0.5(C₂H₁₀N₂)_,0.5(C₂H₁₀N₂)_,H₂O

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=8.3936(7)Å b=10.2277(6)Å c=11.8295(6)Å

α=78.839(3)° β=77.795(4)° γ=81.075(4)°

Niflumic acid:maleic acid salt (1:1)

C₁₃H₁₀N₂O₂F_3,C₄H₃O₄

Childs, Scott L.Stahly, G. Patrick Park, Aeri

Molecular Pharmaceutics (2007) 4, 3 323

a=8.1434(5)Å b=20.7559(11)Å c=10.6511(7)Å

α=90.00° β=110.276(3)° γ=90.00°

Caffeine 1-hydroxy-2-naphthoic acid

C₈H₁₀N₄O_2,C₁₁H₈O₃

Bučar, Dejan-Krešimir Henry, Rodger F.Lou, Xiaochun Duerst, Richard W.Borchardt, Thomas B.MacGillivray, Leonard R.Zhang, Geoff G. Z.

Molecular Pharmaceutics (2007) 4, 3 339

a=7.6063(17)Å b=14.042(3)Å c=16.327(4)Å

α=90.00° β=94.030(4)° γ=90.00°

Caffeine 3-hydroxy-2-naphthoic acid

C₈H₁₀N₄O_2,C₁₁H₈O₃

Bučar, Dejan-Krešimir Henry, Rodger F.Lou, Xiaochun Duerst, Richard W.Borchardt, Thomas B.MacGillivray, Leonard R.Zhang, Geoff G. Z.

Molecular Pharmaceutics (2007) 4, 3 339

a=9.040(9)Å b=24.42(2)Å c=8.654(8)Å

α=90.00° β=117.015(14)° γ=90.00°

C₈H₁₀N₄O_2,C₁₁H₈O₃

Bučar, Dejan-Krešimir Henry, Rodger F.Lou, Xiaochun Duerst, Richard W.Borchardt, Thomas B.MacGillivray, Leonard R.Zhang, Geoff G. Z.

Molecular Pharmaceutics (2007) 4, 3 339

a=8.029(3)Å b=8.592(3)Å c=13.996(5)Å

α=106.475(5)° β=98.162(5)° γ=104.904(6)°

2

C₁₃H₁₈N₄O₁₀

Karki, Shyam Friščić, Tomislav Jones, William Motherwell, W. D. Samuel

Molecular Pharmaceutics (2007) 4, 3 347

a=17.9217(2)Å b=6.17660(10)Å c=15.3751(3)Å

α=90.00° β=105.2120(10)° γ=90.00°

3

(C₈H₁₀N₄O₂)_,(C₆H₈O₇)

Karki, Shyam Friščić, Tomislav Jones, William Motherwell, W. D. Samuel

Molecular Pharmaceutics (2007) 4, 3 347

a=7.38740(10)Å b=8.3967(2)Å c=13.5053(3)Å

α=91.3330(10)° β=99.0400(10)° γ=99.5880(10)°

C₂H₅O_5.5

Wenger, Mazal Bernstein, Joel

Molecular Pharmaceutics (2007) 4, 3 355

a=11.231(2)Å b=12.330(2)Å c=6.9082(12)Å

α=90.00° β=90.00° γ=90.00°

C₄H₉O₁₁

Wenger, Mazal Bernstein, Joel

Molecular Pharmaceutics (2007) 4, 3 355

a=6.337(2)Å b=7.247(3)Å c=10.571(4)Å

α=94.345(10)° β=100.244(9)° γ=97.674(11)°