Structures published

Total: 727

4-(4-methoxyphenoxy)aniline

C₁₃H₁₃NO₂

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=7.5729(5)Å b=5.4503(4)Å c=13.4175(9)Å

α=90.00° β=94.077(2)° γ=90.00°

4-(4-nitrophenoxy)-phenol

C₁₂H₉NO₄

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=11.2437(17)Å b=5.3306(8)Å c=17.601(3)Å

α=90.00° β=94.891(13)° γ=90.00°

4-Iodo-4'-nitrodiphenyl ether

C₁₂H₈INO₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=9.547(14)Å b=28.28(4)Å c=10.080(14)Å

α=90.00° β=117.06(2)° γ=90.00°

4-(4-Iodophenoxy)benzonitrile

C₁₃H₈INO

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=5.325(4)Å b=7.960(5)Å c=28.285(19)Å

α=90.00° β=90.00° γ=90.00°

1-Bromo-4-(4-nitrophenoxy)benzene

C₁₂H₈BrNO₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=9.1199(9)Å b=27.782(3)Å c=9.8887(9)Å

α=90.00° β=116.7450(10)° γ=90.00°

Aniline, N,N-dimethyl-p-(p-nitrophenoxy)

C₁₄H₁₄N₂O₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=5.8340(9)Å b=28.698(4)Å c=7.6833(12)Å

α=90.00° β=90.208(2)° γ=90.00°

4-(4-Methylphenoxy)aniline

C₁₃H₁₃NO

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=5.8600(11)Å b=7.8153(15)Å c=23.130(4)Å

α=90.00° β=90.00° γ=90.00°

4'-Cyano-4-nitrodiphenylether

C₁₃H₈N₂O₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=13.374(3)Å b=7.2793(16)Å c=11.782(3)Å

α=90.00° β=104.415(2)° γ=90.00°

4-(4-Methylphenoxy)benzonitrile

C₁₄H₁₁NO

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=12.5167(19)Å b=6.7036(10)Å c=13.680(2)Å

α=90.00° β=92.477(2)° γ=90.00°

4-(4-Methoxyphenoxy)benzonitrile

C₁₄H₁₁NO₂

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=12.319(2)Å b=7.9156(14)Å c=12.276(2)Å

α=90.00° β=106.166(2)° γ=90.00°

4-Nitrodiphenyl ether

C₁₂H₉NO₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=6.7833(14)Å b=8.9802(18)Å c=17.306(4)Å

α=87.76(3)° β=88.25(3)° γ=88.88(3)°

4-(4-aminophenoxy)-N,N-dimethyl benzenamine

C₁₄H₁₆N₂O

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=9.0473(17)Å b=17.419(3)Å c=7.9560(15)Å

α=90.00° β=94.488(4)° γ=90.00°

4-(4-Methoxyphenoxy)benzoic acid

C₁₄H₁₂O₄

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=7.4742(11)Å b=5.9733(8)Å c=53.194(7)Å

α=90.00° β=90.00° γ=90.00°

N,N-dimethyl-p-(p-hydroxyphenoxy) aniline

C₁₄H₁₅NO₂

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=18.654(4)Å b=13.836(3)Å c=9.885(2)Å

α=90.00° β=98.084(3)° γ=90.00°

4-Amino-4'-cyanodiphenyl ether

C₁₃H₁₀N₂O

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=11.6484(19)Å b=5.6103(10)Å c=16.746(3)Å

α=90.00° β=100.581(3)° γ=90.00°

C₂₀H₁₇NO₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=6.137(2)Å b=7.451(2)Å c=34.981(12)Å

α=90.00° β=90.00° γ=90.00°

4-Chloro-4'-nitrodiphenyl ether

C₁₂H₈ClNO₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=10.0600(6)Å b=7.2712(5)Å c=15.6390(10)Å

α=90.00° β=97.4580(10)° γ=90.00°

4-Ethynyl-4'-nitrodiphenyl ether

C₁₄H₉NO₃

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=14.866(2)Å b=8.8944(14)Å c=19.496(3)Å

α=90.00° β=111.771(2)° γ=90.00°

4,4'-Dinitrodiphenyl ether

C₁₂H₈N₂O₅

Archan Dey Gautam R. Desiraju

Chemical Communications (2005)

a=12.4081(17)Å b=9.2706(17)Å c=9.8031(13)Å

α=90.00° β=94.614(2)° γ=90.00°

C₂₁H₁₈N₂O₂S

Srinu Tothadi Arijit Mukherjee Gautam R. Desiraju

Chem.Commun. (2011) 47, 12080

a=7.4470(15)Å b=9.4240(19)Å c=14.075(3)Å

α=72.08(3)° β=76.66(3)° γ=89.64(3)°

C₄₄H₄₀N₆O₄

Srinu Tothadi Arijit Mukherjee Gautam R. Desiraju

Chem.Commun. (2011) 47, 12080

a=7.4760(15)Å b=14.897(3)Å c=18.240(4)Å

α=110.15(3)° β=90.76(3)° γ=102.60(3)°

Cocrystal pentafluorophenol * pentafluoroaniline 6:3

C₆H₂F₅N_,2(C₆HF₅O)

Kirchner, Michael T.Bläser, Dieter Boese, Roland Desiraju, Gautam R.

CrystEngComm (2009) 11, 2 229-231

a=21.1790(5)Å b=17.0734(4)Å c=16.6258(4)Å

α=90.00° β=114.6340(10)° γ=90.00°

4-amino-2-methyl-4'-hydroxydiphenyl

C₁₃H₁₃NO

Dey, Archan Desiraju, Gautam R.

CrystEngComm (2006) 8, 6 477

a=11.1587(4)Å b=18.9115(7)Å c=10.3217(4)Å

α=90.00° β=109.8320(10)° γ=90.00°

4-amino-2-methyl-4'-hydroxydiphenyl

C₁₃H₁₃NO

Dey, Archan Desiraju, Gautam R.

CrystEngComm (2006) 8, 6 477

a=11.1587(2)Å b=9.5748(2)Å c=19.9175(4)Å

α=90.00° β=96.3320(10)° γ=90.00°

4,4-bis(4-hydroxyphenyl)cyclohexanone

C₁₈H₁₈O₃

Aitipamula, Srinivasulu Desiraju, Gautam R.Jaskólski, Mariusz Nangia, Ashwini Thaimattam, Ram

CrystEngComm (2003) 5, 78 447

a=14.391(3)Å b=20.228(4)Å c=9.782(2)Å

α=90.00° β=91.96(3)° γ=90.00°

4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone

C₂₀H₂₂O₃

Aitipamula, Srinivasulu Desiraju, Gautam R.Jaskólski, Mariusz Nangia, Ashwini Thaimattam, Ram

CrystEngComm (2003) 5, 78 447

a=10.004(2)Å b=15.783(3)Å c=20.253(4)Å

α=90.00° β=94.79(3)° γ=90.00°

C₇H₄N₂O_7.C₂H₄O₂

Senthil Kumar, V. S.Kuduva, Srinivasan S.Desiraju, Gautam R.

Journal of the Chemical Society, Perkin Transactions 2 (1999) 6 1069

a=6.006(4)Å b=9.517(4)Å c=10.396(5)Å

α=78.99(3)° β=73.84(5)° γ=85.86(5)°

C₇H₄N₂O_7.C₄H₈O₂

Senthil Kumar, V. S.Kuduva, Srinivasan S.Desiraju, Gautam R.

Journal of the Chemical Society, Perkin Transactions 2 (1999) 6 1069

a=6.6852(8)Å b=9.7347(18)Å c=10.5534(18)Å

α=79.468(17)° β=80.152(14)° γ=82.990(12)°

C₇H₄N₂O_7.C₄H₈O₂

Senthil Kumar, V. S.Kuduva, Srinivasan S.Desiraju, Gautam R.

Journal of the Chemical Society, Perkin Transactions 2 (1999) 6 1069

a=9.149(15)Å b=11.912(3)Å c=13.318(4)Å

α=111.22(3)° β=90.13(6)° γ=101.12(4)°

C₇H₄N₂O_7.C₄H₈O₂

Senthil Kumar, V. S.Kuduva, Srinivasan S.Desiraju, Gautam R.

Journal of the Chemical Society, Perkin Transactions 2 (1999) 6 1069

a=11.3053(10)Å b=6.0266(5)Å c=16.9126(2)Å

α=90.00° β=97.921(9)° γ=90.00°

C₇H₄N₂O_7.H₂O

Senthil Kumar, V. S.Kuduva, Srinivasan S.Desiraju, Gautam R.

Journal of the Chemical Society, Perkin Transactions 2 (1999) 6 1069

a=16.487(4)Å b=5.8204(16)Å c=13.462(4)Å

α=90.00° β=132.58(2)° γ=90.00°

C₇H₄N₂O_7.C₄H₁₀O

Senthil Kumar, V. S.Kuduva, Srinivasan S.Desiraju, Gautam R.

Journal of the Chemical Society, Perkin Transactions 2 (1999) 6 1069

a=10.290(4)Å b=5.972(3)Å c=22.928(7)Å

α=90.00° β=90.00° γ=90.00°

1.2.3.5-Tetrafluorobenzene

C₆H₂F₄

Thakur, Tejender S.Kirchner, Michael T.Bläser, Dieter Boese, Roland Desiraju, Gautam R.

CrystEngComm (2010) 12, 7 2079

a=3.703(4)Å b=14.572(17)Å c=10.573(13)Å

α=90.00° β=96.340(19)° γ=90.00°

C₁₄H₁₂N₂O₃

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=4.822(2)Å b=22.257(10)Å c=11.408(5)Å

α=90.00° β=93.364(4)° γ=90.00°

C₈H₇NO₄

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=7.463Å b=7.747Å c=15.435Å

α=94.52° β=97.04° γ=117.68°

C₁₄H₁₅N₃O₄

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=28.784(19)Å b=6.795(4)Å c=14.074(9)Å

α=90.00° β=94.543(9)° γ=90.00°

C₁₅H₈BrCl₂O

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=3.8793(7)Å b=15.208(3)Å c=23.308(4)Å

α=90.00° β=92.189(7)° γ=90.00°

C₁₄H₈FN₃O₂

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=7.820(5)Å b=24.093(13)Å c=7.286(4)Å

α=90.00° β=117.167(6)° γ=90.00°

C₁₇H₁₅ClO₃

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=15.0137(18)Å b=5.7145(7)Å c=17.311(2)Å

α=90.00° β=105.671(7)° γ=90.00°

C₁₈H₁₈N₂O₆

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=8.781(8)Å b=9.080(10)Å c=11.641(12)Å

α=86.17(5)° β=69.02(4)° γ=73.38(4)°

C₃₀H₂₄N₂O₂

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=14.118(12)Å b=5.881(5)Å c=15.040(13)Å

α=90.00° β=113.629(10)° γ=90.00°

C₂₄H₁₆F₄N₂O₄

Saha, Subhankar Rajput, Lalit Joseph, Sumy Mishra, Manish Kumar Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2015) 17, 6 1273

a=6.916(4)Å b=6.922(4)Å c=11.215(8)Å

α=88.869(17)° β=88.15(2)° γ=72.09(2)°

Cytosine tribromoacetate

2(C₄N₃O)_,C₂Br₃O₂

Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2014) 16, 22 4732

a=6.0904(15)Å b=10.3943(15)Å c=13.5423(19)Å

α=73.19(5)° β=79.70(5)° γ=78.31(6)°

2(C₈N₃O₃S)_,2(C₂O₄)_,O

Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2014) 16, 22 4732

a=12.8936(11)Å b=6.6821(5)Å c=17.1763(13)Å

α=90.00° β=108.031(2)° γ=90.00°

2(C₈H₁₂N₃O₃S)_,C₂O₄

Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2014) 16, 22 4732

a=6.7021(15)Å b=9.134(2)Å c=37.734(10)Å

α=90.00° β=90.00° γ=90.00°

2(C₈H₁₁N₃O₃S)_,C₇H₁₂O₄

Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2014) 16, 22 4732

a=6.9440(7)Å b=28.891(3)Å c=6.9559(8)Å

α=90.00° β=95.357(4)° γ=90.00°

C₁₈H₁₅ClN₂O₂S

Grobelny, Pawel Mukherjee, Arijit Desiraju, Gautam R.

CrystEngComm (2012) 14, 18 5785

a=8.0520(16)Å b=10.412(2)Å c=10.455(2)Å

α=85.62(3)° β=83.17(3)° γ=80.56(3)°

C₁₈H₁₅ClN₂O_2.69S

Grobelny, Pawel Mukherjee, Arijit Desiraju, Gautam R.

CrystEngComm (2012) 14, 18 5785

a=10.889(2)Å b=12.359(3)Å c=12.803(3)Å

α=90.00° β=93.496(7)° γ=90.00°

C₁₈H₁₆ClN₂O_2.5S

Grobelny, Pawel Mukherjee, Arijit Desiraju, Gautam R.

CrystEngComm (2012) 14, 18 5785

a=20.9182(15)Å b=12.4873(8)Å c=12.8222(8)Å

α=90.00° β=90.00° γ=90.00°

C₉H₇NO

Mukherjee, Arijit Tothadi, Srinu Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2013) 15, 23 4640

a=3.8348(9)Å b=12.718(3)Å c=14.067(3)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₁₈N₂O₆

Mukherjee, Arijit Tothadi, Srinu Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2013) 15, 23 4640

a=6.9109(14)Å b=12.289(3)Å c=12.647(3)Å

α=112.713(8)° β=93.424(7)° γ=103.103(7)°

C₂₆H₂₂N₂O₆

Mukherjee, Arijit Tothadi, Srinu Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2013) 15, 23 4640

a=3.9080(6)Å b=23.780(4)Å c=11.839(2)Å

α=90.00° β=100.833(9)° γ=90.00°

2,6-Difluorobenzamide

C₇H₅F₂NO

Mukherjee, Arijit Tothadi, Srinu Chakraborty, Shaunak Ganguly, Somnath Desiraju, Gautam R.

CrystEngComm (2013) 15, 23 4640

a=5.1396(15)Å b=12.118(4)Å c=11.792(3)Å

α=90.00° β=112.482(11)° γ=90.00°

4-Methylpyridinium Pentachlorophenolate

C₆Cl₅O_,C₆H₈N

Rajput, Lalit Banik, Manas Yarava, Jayasubba Reddy Joseph, Sumy Pandey, Manoj Kumar Nishiyama, Yusuke Desiraju, Gautam R.

IUCrJ (2017) 4, 4

a=7.316(6)Å b=8.942(8)Å c=11.763(9)Å

α=70.15(4)° β=84.67(4)° γ=76.24(4)°

C₆H₃Cl₃O_,C₆H₆ClN

Mukherjee, Arijit Dixit, Karuna Sarma, Siddhartha P.Desiraju, Gautam R.

IUCrJ (2014) 1, 4 228-239

a=7.851(5)Å b=11.865(7)Å c=14.891(8)Å

α=90.00° β=106.79(3)° γ=90.00°

C₇H₆O_3,C₇H₈N₂O

Mukherjee, Arijit Dixit, Karuna Sarma, Siddhartha P.Desiraju, Gautam R.

IUCrJ (2014) 1, 4 228-239

a=12.410(15)Å b=5.124(6)Å c=20.06(2)Å

α=90.00° β=92.901(14)° γ=90.00°

C₂₉H₂₆N₄O₈

Dubey, Ritesh Desiraju, Gautam R.

IUCrJ (2015) 2, 4 402-408

a=10.0918(17)Å b=11.4244(19)Å c=13.052(2)Å

α=98.573(7)° β=95.190(7)° γ=115.078(8)°

C₂₉H₂₁N₂O₇S

Dubey, Ritesh Desiraju, Gautam R.

IUCrJ (2015) 2, 4 402-408

a=9.8066(9)Å b=10.4874(10)Å c=13.0073(12)Å

α=97.993(7)° β=94.646(7)° γ=108.150(8)°

C₃₆H₄₈N₆O₆

Dubey, Ritesh Mir, Niyaz A.Desiraju, Gautam R.

IUCrJ (2016) 3, 2 102-107

a=15.6084(8)Å b=13.4786(7)Å c=17.2209(9)Å

α=90° β=90.200(2)° γ=90°

C₂₄H₂₃N₂O₂

Dubey, Ritesh Mir, Niyaz A.Desiraju, Gautam R.

IUCrJ (2016) 3, 2 102-107

a=8.971(4)Å b=10.078(4)Å c=11.666(5)Å

α=109.665(8)° β=94.353(7)° γ=90.742(7)°

C₃₀H₃₄N₂O₄S₂

Mir, Niyaz A.Dubey, Ritesh Desiraju, Gautam R.

IUCrJ (2016) 3, 2 96-101

a=7.7971(14)Å b=22.217(5)Å c=7.9179(15)Å

α=90° β=91.479(15)° γ=90°

C₄₂H₄₄N₄O₄S₂

Mir, Niyaz A.Dubey, Ritesh Desiraju, Gautam R.

IUCrJ (2016) 3, 2 96-101

a=7.492(5)Å b=9.069(6)Å c=13.643(10)Å

α=98.069(13)° β=92.516(6)° γ=91.428(8)°

C₄₄H₄₈N₆O₄

Mir, Niyaz A.Dubey, Ritesh Desiraju, Gautam R.

IUCrJ (2016) 3, 2 96-101

a=7.4957(13)Å b=8.7882(17)Å c=14.308(3)Å

α=97.049(11)° β=94.334(13)° γ=91.781(10)°

C₄₂H₄₈N₆O₄

Mir, Niyaz A.Dubey, Ritesh Desiraju, Gautam R.

IUCrJ (2016) 3, 2 96-101

a=7.324(7)Å b=8.723(8)Å c=15.107(14)Å

α=82.27(3)° β=88.73(3)° γ=78.76(2)°

4-Flurobenzoic acid

C₇H₅FO₂

Hathwar, Venkatesha R.Thakur, Tejender S.Dubey, Ritesh Pavan, Mysore S.Row, Tayur N Guru Desiraju, Gautam R.

The journal of physical chemistry. A (2011) 115, 45 12852-12863

a=3.816(6)Å b=6.3759(11)Å c=26.571(4)Å

α=90° β=94.353(18)° γ=90°

2-fluorobenzoic acid:Isonicotinamide

C₇H₄FO_2,C₆H₆N₂O

Hathwar, Venkatesha R.Thakur, Tejender S.Dubey, Ritesh Pavan, Mysore S.Row, Tayur N Guru Desiraju, Gautam R.

The journal of physical chemistry. A (2011) 115, 45 12852-12863

a=7.0275(9)Å b=7.4474(9)Å c=12.6005(16)Å

α=74.371(5)° β=87.185(6)° γ=70.004(5)°

4-bromo-3-chlorophenol

C₆H₄BrClO

Mukherjee, Arijit Desiraju, Gautam R.

IUCrJ (2014) 1, 1 49-60

a=26.65(3)Å b=26.65(3)Å c=3.965(3)Å

α=90.00° β=90.00° γ=90.00°

2,3,5-trichlorosalicylic acid

C₇H₃Cl₃O₃

Mukherjee, Arijit Desiraju, Gautam R.

IUCrJ (2014) 1, 1 49-60

a=4.9531(14)Å b=24.020(6)Å c=8.007(3)Å

α=90.00° β=118.88(2)° γ=90.00°

Aspirin form II

C₉H₈O₄

Varughese, Sunil Kiran, M. S. R. N.Solanko, Katarzyna A.Bond, Andrew D.Ramamurty, U.Desiraju, Gautam R.

Chemical Science (2011) 2, 11 2236

a=12.3578(7)Å b=6.5315(8)Å c=11.4964(7)Å

α=90.00° β=112.436(3)° γ=90.00°

C₂₂H₂₃N₃O₄

Sanphui, Palash Rajput, Lalit Gopi, Shanmukha Prasad Desiraju, Gautam R.

Acta Crystallographica Section B (2016) 72, 3 291-300

a=13.966(5)Å b=12.991(4)Å c=11.225(4)Å

α=90.00° β=100.931(16)° γ=90.00°

C₂₈H₃₃N₃O₈

Sanphui, Palash Rajput, Lalit Gopi, Shanmukha Prasad Desiraju, Gautam R.

Acta Crystallographica Section B (2016) 72, 3 291-300

a=14.2922(18)Å b=27.500(3)Å c=7.0784(7)Å

α=90.00° β=90.467(7)° γ=90.00°

C₂₇H₃₃N₃O₉

Sanphui, Palash Rajput, Lalit Gopi, Shanmukha Prasad Desiraju, Gautam R.

Acta Crystallographica Section B (2016) 72, 3 291-300

a=7.916(10)Å b=14.012(15)Å c=14.349(14)Å

α=61.73(3)° β=79.64(6)° γ=86.58(6)°

C₂₆H₃₁N₃O₉

Sanphui, Palash Rajput, Lalit Gopi, Shanmukha Prasad Desiraju, Gautam R.

Acta Crystallographica Section B (2016) 72, 3 291-300

a=13.4269(16)Å b=24.169(3)Å c=8.0606(8)Å

α=90.00° β=92.410(5)° γ=90.00°

C₂₃H₂₇N₅O₅

Sanphui, Palash Rajput, Lalit Gopi, Shanmukha Prasad Desiraju, Gautam R.

Acta Crystallographica Section B (2016) 72, 3 291-300

a=21.6051(16)Å b=23.7024(18)Å c=8.9076(6)Å

α=90.00° β=90.00° γ=90.00°

1-formyl-3-thiosemicarbazide

C₂H₅N₃OS

Munshi, Parthapratim Thakur, T. S.Guru Row, T. N.Desiraju, G. R.

Acta Crystallographica Section B (2006) 62, 1 118-127

a=7.2569(17)Å b=7.4263(18)Å c=9.593(2)Å

α=90° β=98.606(4)° γ=90°

1-formyl-3-thiosemicarbazide

C₂H₅N₃OS

Munshi, Parthapratim Thakur, T. S.Guru Row, T. N.Desiraju, G. R.

Acta Crystallographica Section B (2006) 62, 1 118-127

a=7.2339(5)Å b=7.3703(5)Å c=9.4771(7)Å

α=90.00° β=98.4260(10)° γ=90.00°

1-Formyl-3-thiosemicarbazide

C₂H₅N₃OS

Munshi, Parthapratim Thakur, T. S.Guru Row, T. N.Desiraju, G. R.

Acta Crystallographica Section B (2006) 62, 1 118-127

a=7.2359(3)Å b=7.3713(3)Å c=9.4768(4)Å

α=90° β=98.403(2)° γ=90°

C₁₅H₁₀Cl₂O

Bilton, Clair Howard, Judith A. K.Madhavi, N. N. L.Nangia, Ashwini Desiraju, Gautam R.Allen, Frank H.Wilson, Chick C.

Acta Crystallographica Section B (2000) 56, 6 1071-1079

a=5.7082(1)Å b=11.3645(2)Å c=11.5167(1)Å

α=117.268(1)° β=99.257(1)° γ=96.726(1)°

2,3,5,6-tetrafluoro-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol

C₁₀H₄F₄O₂

Madhavi, N. N. L.Desiraju, Gautam R.Bilton, Claire Howard, Judith A. K.Allen, Frank H.

Acta Crystallographica Section B (2000) 56, 6 1063-1070

a=8.9002(18)Å b=9.2388(18)Å c=9.6721(19)Å

α=93.73(3)° β=98.73(3)° γ=114.46(3)°

2,3,5,6-tetrachloro-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol

C₁₀H₄Cl₄O₂

Madhavi, N. N. L.Desiraju, Gautam R.Bilton, Claire Howard, Judith A. K.Allen, Frank H.

Acta Crystallographica Section B (2000) 56, 6 1063-1070

a=16.758(2)Å b=16.758(2)Å c=8.865(2)Å

α=90.00° β=90.00° γ=90.00°

2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol

C₁₀H₄Br₄O₂

Madhavi, N. N. L.Desiraju, Gautam R.Bilton, Claire Howard, Judith A. K.Allen, Frank H.

Acta Crystallographica Section B (2000) 56, 6 1063-1070

a=8.9147(3)Å b=12.6402(5)Å c=12.6547(5)Å

α=85.738(1)° β=69.625(1)° γ=72.72(1)°

C₁₇H₁₆O

Bilton, Clair Howard, Judith A. K.Madhavi, N. N. L.Nangia, Ashwini Desiraju, Gautam R.Allen, Frank H.Wilson, Chick C.

Acta Crystallographica Section B (2000) 56, 6 1071-1079

a=6.8286(14)Å b=8.2407(16)Å c=12.658(3)Å

α=106.73(3)° β=98.71(3)° γ=101.39(3)°

C₁₅H₁₀Cl₂O

Bilton, Clair Howard, Judith A. K.Madhavi, N. N. L.Nangia, Ashwini Desiraju, Gautam R.Allen, Frank H.Wilson, Chick C.

Acta Crystallographica Section B (2000) 56, 6 1071-1079

a=5.7280(1)Å b=11.3620(2)Å c=11.5210(1)Å

α=117.240(1)° β=99.250(1)° γ=96.860(1)°

2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene

C₂₁H₁₂Cl₃N₃O_3,C₆H₃Br₃

Broder, Charlotte K.Howard, Judith A. K.Keen, David A.Wilson, Chick C.Allen, Frank H.Jetti, Ram K. R.Nangia, Ashwini Desiraju, Gautam R.

Acta Crystallographica Section B (2000) 56, 6 1080-1084

a=15.250(2)Å b=15.250(2)Å c=6.8149(14)Å

α=90.00° β=90.00° γ=120.00°

C₂₁H₁₂Cl₃N₃O_3,C₆H₃Br₃

Broder, Charlotte K.Howard, Judith A. K.Keen, David A.Wilson, Chick C.Allen, Frank H.Jetti, Ram K. R.Nangia, Ashwini Desiraju, Gautam R.

Acta Crystallographica Section B (2000) 56, 6 1080-1084

a=15.166(6)Å b=15.166(6)Å c=6.743(2)Å

α=90.° β=90.° γ=120.°

C₂₇H₂₀O

Bilton, Clair Howard, Judith A. K.Madhavi, N. N. L.Nangia, Ashwini Desiraju, Gautam R.Allen, Frank H.Wilson, Chick C.

Acta Crystallographica Section B (2000) 56, 6 1071-1079

a=5.6413(3)Å b=10.2599(5)Å c=17.3238(9)Å

α=100.450(2)° β=97.790(2)° γ=95.477(2)°

2,6-dibromo-1-chloro-4-fluorobenzene

C₆H₂Br₂ClF

Day, Graeme M.Cooper, Timothy G.Cruz-Cabeza, Aurora J.Hejczyk, Katarzyna E.Ammon, Herman L.Boerrigter, Stephan X. M.Tan, Jeffrey S.Della Valle, Raffaele G.Venuti, Elisabetta Jose, Jovan Gadre, Shridhar R.Desiraju, Gautam R.Thakur, Tejender S.van Eijck, Bouke P.Facelli, Julio C.Bazterra, Victor E.Ferraro, Marta B.Hofmann, Detlef W. M.Neumann, Marcus A.Leusen, Frank J. J.Kendrick, John Price, Sarah L.Misquitta, Alston J.Karamertzanis, Panagiotis G.Welch, Gareth W. A.Scheraga, Harold A.Arnautova, Yelena A.Schmidt, Martin U.van de Streek, Jacco Wolf, Alexandra K.Schweizer, Bernd

Acta Crystallographica Section B Structural Science (2009) 65, 2 107-125

a=3.8943(5)Å b=13.5109(17)Å c=14.4296(17)Å

α=90.00° β=93.636(2)° γ=90.00°

2-amino-4-methylpyrimidine, 2-methylbenzoic acid

(C₆H₇N₃)_,(C₇H₈O₂)

Acta Crystallographica Section B Structural Science (2009) 65, 2 107-125

a=7.2795(10)Å b=13.6699(18)Å c=12.6695(16)Å

α=90.00° β=96.646(3)° γ=90.00°

C₃H₄O₁

Acta Crystallographica Section B Structural Science (2009) 65, 2 107-125

a=6.970(3)Å b=9.514(5)Å c=9.752(5)Å

α=90° β=90° γ=90°

C₁₀H₄Br₄O_2,2(H₂O)

Bilton, Clair Howard, Judith A. K.Madhavi, N. N. L.Desiraju, Gautam R.Allen, Frank H.Wilson, Chick C.

Acta Crystallographica Section B (2001) 57, 4 560-566

a=12.6551(18)Å b=12.6551(18)Å c=8.7340(17)Å

α=90.00° β=90.00° γ=90.00°

C₁₀H₈Br₄O₄

Bilton, Clair Howard, Judith A. K.Madhavi, N. N. L.Desiraju, Gautam R.Allen, Frank H.Wilson, Chick C.

Acta Crystallographica Section B (2001) 57, 4 560-566

a=12.6551(18)Å b=12.6551(18)Å c=8.7340(17)Å

α=90.00° β=90.00° γ=90.00°

Diethyl oxalate

C₆H₁₀O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.581(4)Å b=4.2812(15)Å c=15.282(5)Å

α=90° β=104.938(6)° γ=90°

Diethyl oxalate

C₆H₁₀O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.734(4)Å b=4.3096(15)Å c=15.276(5)Å

α=90° β=105.525(6)° γ=90°

Di-tert-butyl oxalate

C₁₀H₁₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.197(2)Å b=10.778(2)Å c=11.454(2)Å

α=90° β=119.23(3)° γ=90°

Di-tert-butyl oxalate

C₁₀H₁₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.183(2)Å b=10.752(2)Å c=11.405(2)Å

α=90° β=118.95(3)° γ=90°

Di-tert-butyl oxalate

C₁₀H₁₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.138(2)Å b=10.686(2)Å c=11.324(2)Å

α=90° β=118.61(3)° γ=90°

Di-tert-butyl oxalate

C₁₀H₁₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.120(2)Å b=10.650(2)Å c=11.277(2)Å

α=90° β=118.35(3)° γ=90°

Di-tert-butyl oxalate

C₁₀H₁₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=11.100(2)Å b=10.635(2)Å c=11.243(2)Å

α=90° β=118.22(3)° γ=90°

Methyl ethyl oxalate

C₅H₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=16.317(8)Å b=4.461(2)Å c=9.254(4)Å

α=90° β=95.045(7)° γ=90°

Methy lethyl oxalate

C₅H₈O₄

Joseph, Sumy Sathishkumar, Ranganathan Mahapatra, Sudarshan Desiraju, Gautam R.

Acta Crystallographica Section B (2011) 67, 6 525-534

a=16.321(8)Å b=4.425(2)Å c=9.127(4)Å

α=90° β=95.092(8)° γ=90°