Structures published

Total: 727

C₁₃H₁₁N₃O₂

Mukherjee, Arijit Desiraju, Gautam R.

Crystal Growth & Design (2014) 14, 3 1375

a=13.2990(16)Å b=8.0627(10)Å c=22.101(3)Å

α=90.00° β=100.795(7)° γ=90.00°

C₁₃H₁₀N₂O₃

Mukherjee, Arijit Desiraju, Gautam R.

Crystal Growth & Design (2014) 14, 3 1375

a=7.279(4)Å b=11.601(6)Å c=13.669(7)Å

α=90.00° β=100.809(8)° γ=90.00°

C₁₄H₁₂N₂O₃

Mukherjee, Arijit Desiraju, Gautam R.

Crystal Growth & Design (2014) 14, 3 1375

a=7.4624(16)Å b=7.7677(17)Å c=10.981(2)Å

α=91.289(6)° β=95.146(7)° γ=102.190(7)°

C₁₄H₁₄N₂O₄

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=3.936(5)Å b=15.88(2)Å c=20.64(3)Å

α=90° β=90.518(11)° γ=90°

C₁₅H₁₃N₃O₈

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=7.467(7)Å b=9.997(9)Å c=11.538(11)Å

α=80.37(3)° β=85.46(4)° γ=71.51(3)°

C₁₄H₁₁N₃O₈

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=8.209(5)Å b=11.582(6)Å c=15.675(8)Å

α=90° β=100.525(4)° γ=90°

C₁₄H₁₂N₂O₆

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=7.3427(19)Å b=16.733(4)Å c=11.153(3)Å

α=90° β=97.192(14)° γ=90°

C₁₅H₁₄N₂O₆

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=7.806(7)Å b=10.767(9)Å c=17.948(15)Å

α=80.47(2)° β=86.02(3)° γ=78.432(18)°

C₁₅H₁₄N₂O₅

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=7.550(8)Å b=16.276(16)Å c=11.939(12)Å

α=90° β=98.124(14)° γ=90°

C₁₄H₁₂N₄O₁₀

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=7.033(4)Å b=8.877(5)Å c=27.155(16)Å

α=90° β=91.544(7)° γ=90°

C₁₄H₁₂ClNO₄

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=3.909(7)Å b=13.08(2)Å c=13.52(2)Å

α=105.33(3)° β=90.581(16)° γ=92.20(3)°

C₁₄H₁₂ClNO₄

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=6.358(4)Å b=6.932(5)Å c=14.993(11)Å

α=87.16(2)° β=83.62(2)° γ=81.62(2)°

C₁₄H₁₂N₂O₆

Saha, Subhankar Desiraju, Gautam R.

Journal of the American Chemical Society (2018) 140, 20 6361-6373

a=6.451(4)Å b=6.728(5)Å c=15.300(10)Å

α=88.57(2)° β=84.457(18)° γ=82.348(19)°

C_25.33333H_16.33333ClN₄O₈

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=22.276(1)Å b=22.276(1)Å c=25.348(1)Å

α=90.00° β=90.00° γ=120.00°

C_25.33333H_16.33333BrN₄O₈

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=15.437(2)Å b=15.437(2)Å c=15.437(2)Å

α=93.02(1)° β=93.02(1)° γ=93.02(1)°

C₂₉H₂₄N₄O₉

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=24.365(3)Å b=28.629(4)Å c=15.257(1)Å

α=90.00° β=90.00° γ=90.00°

C₂₉H_19.33N_4.67O_9.33

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=13.0550(18)Å b=13.0550(18)Å c=22.754(5)Å

α=90.00° β=90.00° γ=90.00°

C₅₇H₃₉BrN₈O₁₇

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=18.340(2)Å b=15.680(2)Å c=18.216(2)Å

α=90.00° β=90.00° γ=90.00°

C₄₃H₄₀N₄O₈

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=9.968(1)Å b=13.147(1)Å c=15.747(1)Å

α=72.40(1)° β=80.83(1)° γ=88.49(1)°

C₃₃H₂₇N₅O₈

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=10.9385(6)Å b=10.9385(6)Å c=15.9633(12)Å

α=90.00° β=90.00° γ=90.00°

C₃₃H₂₆N₄O₈

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=18.642(3)Å b=18.706(4)Å c=34.164(6)Å

α=90.00° β=97.36(5)° γ=90.00°

C_39.5H₂₈N₆O₁₃

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=13.139(6)Å b=13.139(6)Å c=23.087(13)Å

α=90.00° β=90.00° γ=90.00°

C_28.5H₂₀N₄O_8.5

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=18.236(2)Å b=15.685(1)Å c=18.191(1)Å

α=90.00° β=90.00° γ=90.00°

C₂₉H₂₁N₄O_8.5

Ram Thaimattam Feng Xue Jagarlapudi A. R. P. Sarma Thomas C. W. Mak Gautam R. Desiraju

Journal of the American Chemical Society (2001) 123, 4432-4445

a=18.257(4)Å b=15.668(3)Å c=18.333(4)Å

α=90.00° β=90.00° γ=90.00°

C₁₅H₁₂O₂

Srinivasan S. Kuduva Donald C. Craig Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1999) 121, 1936-1944

a=8.998(2)Å b=13.605(2)Å c=11.056(2)Å

α=90° β=123.448(9)° γ=90°

C₉H₈O₂

Srinivasan S. Kuduva Donald C. Craig Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1999) 121, 1936-1944

a=8.599(2)Å b=11.131(2)Å c=14.588(4)Å

α=90.0000° β=94.68(1)° γ=90.0000°

C₉H₇ClO₂

Srinivasan S. Kuduva Donald C. Craig Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1999) 121, 1936-1944

a=7.175(4)Å b=25.233(8)Å c=8.394(4)Å

α=90.0000° β=90.60(2)° γ=90.0000°

C₉H₇BrO₂

Srinivasan S. Kuduva Donald C. Craig Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1999) 121, 1936-1944

a=8.306(3)Å b=7.261(2)Å c=14.269(6)Å

α=90.0000° β=113.13(2)° γ=90.0000°

2A3MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=21.6090(7)Å b=7.4822(2)Å c=8.2703(3)Å

α=90.00° β=90.00° γ=90.00°

2A4MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=7.5058(15)Å b=7.7076(15)Å c=22.691(5)Å

α=90.00° β=90.00° γ=90.00°

2A5MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=8.7860(5)Å b=9.9708(5)Å c=7.8700(4)Å

α=90.00° β=113.966(2)° γ=90.00°

3A2MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=6.6782(6)Å b=8.1351(7)Å c=11.9301(10)Å

α=90.00° β=101.661(2)° γ=90.00°

3A5MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=6.02390(10)Å b=15.2605(3)Å c=7.4566(2)Å

α=90.00° β=107.5570(10)° γ=90.00°

5A2MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=5.5990(10)Å b=7.971(2)Å c=7.700(2)Å

α=90.00° β=110.020(10)° γ=90.00°

4A2MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=4.48940(10)Å b=10.4759(3)Å c=14.3300(4)Å

α=90.00° β=93.1740(10)° γ=90.00°

4A3MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=4.6823(2)Å b=11.5155(5)Å c=12.0314(5)Å

α=90.00° β=96.884(2)° γ=90.00°

8A2HNAP

C₁₀H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=12.415(2)Å b=4.1719(7)Å c=15.511(3)Å

α=90.00° β=108.804(3)° γ=90.00°

Trans-4-Amino-cyclohexanol

C₆H₁₃NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=5.259(2)Å b=11.954(5)Å c=11.730(4)Å

α=90.00° β=95.486(8)° γ=90.00°

2A6MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=8.0069(2)Å b=8.0094(2)Å c=20.3862(5)Å

α=83.8860(10)° β=84.7190(10)° γ=89.1200(10)°

3A4MP

C₇H₉NO

Archan Dey Michael T. Kirchner Venu R. Vangala Gautam R. Desiraju Raju Mondal Judith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=7.5998(2)Å b=18.3860(5)Å c=9.9035(3)Å

α=90.00° β=110.1720(10)° γ=90.00°

4-(4-aminobenzyl)phenol

C₁₃H₁₃NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=5.9180(12)Å b=19.213(4)Å c=9.6510(19)Å

α=90.00° β=101.25(3)° γ=90.00°

4-(3-aminophenyl)phenol

C₁₂H₁₁NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=19.2352(8)Å b=6.0039(3)Å c=8.1627(4)Å

α=90.00° β=90.00° γ=90.00°

4-(4-aminobenzyl)phenol

C₁₃H₁₃NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=5.9820(3)Å b=19.3670(9)Å c=9.7390(4)Å

α=90.00° β=100.860(2)° γ=90.00°

4-(4-aminophenethyl)phenol

C₁₄H₁₅NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=13.682(3)Å b=5.2619(11)Å c=8.1916(16)Å

α=90.00° β=107.28(3)° γ=90.00°

4-[3-(4-aminophenyl)propyl]phenol

C₁₅H₁₇NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=23.9370(7)Å b=6.2160(2)Å c=8.3970(3)Å

α=90.00° β=90.00° γ=90.00°

4-(4-aminobenzylsulfamyl)phenol

C₁₃H₁₃NOS

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=13.844(3)Å b=5.1626(10)Å c=8.2485(16)Å

α=90.00° β=107.22(3)° γ=90.00°

4-(4-aminophenylsulfamylmethyl)phenol

C₁₃H₁₃NOS

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=13.7422(12)Å b=5.1725(4)Å c=8.3055(7)Å

α=90.00° β=105.548(4)° γ=90.00°

4-(4-aminophenyldisulfamyl)phenol

C₁₂H₁₁NOS₂

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=10.4321(12)Å b=8.1179(11)Å c=14.791(2)Å

α=90.00° β=109.633(6)° γ=90.00°

4-[2-(4-aminophenylsulfamyl)ethyl]phenol

C₁₄H₁₅NOS

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=12.6341(9)Å b=5.8636(4)Å c=8.5671(5)Å

α=90.00° β=90.351(3)° γ=90.00°

4-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol

C₁₄H₁₃NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=12.951(8)Å b=5.226(3)Å c=8.046(3)Å

α=90.00° β=98.12(3)° γ=90.00°

4-(4-aminophenoxy)phenol

C₁₂H₁₁NO₂

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=22.4911(11)Å b=5.4647(2)Å c=8.0466(4)Å

α=90.00° β=95.674(2)° γ=90.00°

4-[5-(4-aminophenyl)pentyl]phenol

C₁₇H₂₁NO

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=14.9554(9)Å b=11.2370(8)Å c=8.6841(6)Å

α=90.00° β=90.893(3)° γ=90.00°

4-(4-aminophenylsulfamyl)phenol

C₁₂H₁₁NOS

Venu R. Vangala Balakrishna R. Bhogala Archan Dey Gautam R. Desiraju Charlotte K. Broder Philip S. Smith Raju Mondal Judith A. K. Howard Chick C. Wilson

Journal of the American Chemical Society (2003) 125, 14495-14509

a=9.8597(3)Å b=10.0879(3)Å c=21.8081(7)Å

α=90.00° β=102.8090(10)° γ=90.00°

1,2-difluorobenzene

C₆H₄F₂

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=7.4806(11)Å b=5.9608(9)Å c=11.725(2)Å

α=90.00° β=103.815(11)° γ=90.00°

1,2,3,4-tetrafluorobenzene

C₆H₂F₄

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=19.171(3)Å b=6.9496(12)Å c=9.207(2)Å

α=90.00° β=116.187(13)° γ=90.00°

Fluorobenzene

C₆H₅F

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=5.799(2)Å b=5.799(2)Å c=14.530(7)Å

α=90.00° β=90.00° γ=90.00°

1,4-difluorobenzene

C₆H₄F₂

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=5.809(2)Å b=6.530(2)Å c=7.190(2)Å

α=90.00° β=101.89(2)° γ=90.00°

1,3,5-trifluorobenzene

C₆H₃F₃

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=6.160(2)Å b=11.909(3)Å c=7.504(2)Å

α=90.00° β=95.47(2)° γ=90.00°

1,2,4,5-tetrafluorobenzene

C₆H₂F₄

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=4.4719(11)Å b=10.285(2)Å c=6.342(2)Å

α=90.00° β=107.97(2)° γ=90.00°

Pentafluorobenzene

C₆HF₅

Venkat R. Thalladi Hans-Christoph Weiss Dieter Bläser Roland Boese Ashwini Nangia Gautam R. Desiraju

Journal of the American Chemical Society (1998) 120, 8702-8710

a=12.380(3)Å b=9.910(2)Å c=9.880(2)Å

α=90.00° β=102.50(3)° γ=90.00°