Structures published

Total: 21

3-Benzyl-6-bromo-2-methoxyquinoline

C₁₇H₁₄BrNO

Okezue, Mercy Smith, Daniel Zeller, Matthias Byrn, Stephen R.Smith, Pamela Bogandowich-Knipp, Susan Purcell, Dale K.Clase, Kari L.

Acta Crystallographica Section C (2020) 76, 11

a=4.3606(6)Å b=10.820(2)Å c=29.886(11)Å

α=90° β=90° γ=90°

Bedaquline

C₃₂H₃₁BrN₂O₂

Okezue, Mercy Smith, Daniel Zeller, Matthias Byrn, Stephen R.Smith, Pamela Bogandowich-Knipp, Susan Purcell, Dale K.Clase, Kari L.

Acta Crystallographica Section C (2020) 76, 11

a=11.1584(8)Å b=13.6425(14)Å c=36.061(4)Å

α=90° β=90° γ=90°

Bedaqulinium benzoate acetonitrile 0.742-solvate monohydrate

C₃₂H₃₂BrN₂O_2,C₇H₅O_2,0.742(C₂H₃N)_,H₂O

Okezue, Mercy Smith, Daniel Zeller, Matthias Byrn, Stephen R.Smith, Pamela Bogandowich-Knipp, Susan Purcell, Dale K.Clase, Kari L.

Acta Crystallographica Section C (2020) 76, 11

a=12.8661(8)Å b=8.0386(5)Å c=17.4704(10)Å

α=90° β=101.093(3)° γ=90°

Bedaqulinium benzoate 1.166-hydrate

C₃₂H₃₂BrN₂O_2,C₇H₅O_2,1.166(H₂O)

Okezue, Mercy Smith, Daniel Zeller, Matthias Byrn, Stephen R.Smith, Pamela Bogandowich-Knipp, Susan Purcell, Dale K.Clase, Kari L.

Acta Crystallographica Section C (2020) 76, 11

a=12.6384(5)Å b=7.9259(3)Å c=17.5249(8)Å

α=90° β=99.8450(17)° γ=90°

Bedaqulinium 3-carboxyprop-2-enoate

C₃₂H₃₂BrN₂O_2,C₄H₃O₄

Okezue, Mercy Smith, Daniel Zeller, Matthias Byrn, Stephen R.Smith, Pamela Bogandowich-Knipp, Susan Purcell, Dale K.Clase, Kari L.

Acta Crystallographica Section C (2020) 76, 11

a=16.4556(6)Å b=10.3205(3)Å c=20.1636(8)Å

α=90° β=109.1832(15)° γ=90°

<i>N</i>-{4-(3-Chloro-4-fluoroanilino)-7-[(tetrahydrofuran-3-yl)oxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide--acetonitrile--water (2/1/8)

2(C₂₄H₂₅ClFN₅O₃)_,0.5(C₂H₃N)_,4(H₂O)

Zeller, Matthias de Araujo, Gabriel Lima Barros Parker, Trev Singh Rai, Amrinder Byrn, Stephen R.

Acta Crystallographica Section E (2017) 73, 3 417-422

a=26.2427(4)Å b=26.2427(4)Å c=15.1639(3)Å

α=90° β=90° γ=90°

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C₂₇H₄₈O₆

Wahle, M. C.Byrn, S. R.

Acta Crystallographica Section C (1996) 52, 10 2500-2502

a=25.483(4)Å b=8.0133(19)Å c=15.339(4)Å

α=90.00° β=121.581(14)° γ=90.00°

Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Methanolate

C₂₅H₄₃NaO₆

Wahle, M. C.Byrn, S. R.

Acta Crystallographica Section C (1996) 52, 10 2495-2499

a=7.793(6)Å b=15.720(9)Å c=20.514(12)Å

α=90.00° β=90.00° γ=90.00°

Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate 2-Propanolate

C₂₇H₄₇NaO₆

Wahle, M. C.Byrn, S. R.

Acta Crystallographica Section C (1996) 52, 10 2495-2499

a=10.466(2)Å b=7.6364(19)Å c=17.197(2)Å

α=90.00° β=90.370(12)° γ=90.00°

3-(4-Nitroanilino)cyclopent-2-en-1-one

C₁₁H₁₀N₂O₃

Huang, Kin-Shan Stowell, Joseph G.Byrn, Stephen R.

Acta Crystallographica Section C (1997) 53, 11 1717-1719

a=8.2725(7)Å b=13.2730(10)Å c=9.5548(7)Å

α=90° β=97.510(6)° γ=90°

C₁₅H₁₁Cl₁N₂O_3,C₁H₁Cl₃

Toma, P. H.Nguyen, D. N.Byrn, S. R.

Acta Crystallographica Section C (1993) 49, 5 914-916

a=7.3490(10)Å b=10.613(2)Å c=11.721(2)Å

α=84.420(10)° β=79.420(10)° γ=83.230(10)°

3α,7α,12α-Trihydroxy-5β-cholan-24-amide Dihydrate

C₂₄H₄₁N₁O_4,2H₂O₁

Wahle, M. C.Fanwick, P. E.Byrn, S. R.

Acta Crystallographica Section C (1997) 53, 4 480-482

a=10.3344(7)Å b=10.8162(7)Å c=11.3620(7)Å

α=90.00° β=108.730(6)° γ=90.00°

[8S-[7[R(R)],8R*]]-7-[2-[[1-(ethoxycarbonyl)-3- phenylpropyl]-amino]-1-oxopropyl]-1,4-dithia-7- azaspiro[4.4]nonane-8-carboxylic acid hydrochloride

C₂₂H₃₁N₂O₅S_2,Cl_1,H₂O₁

Xu, Wei Wahle, Mark C.Stowell, Joseph G.Byrn, Stephen R.

Acta Crystallographica Section C (1997) 53, 12 1917-1919

a=10.5075(15)Å b=10.6251(15)Å c=23.407(3)Å

α=90.00° β=90.00° γ=90.00°

N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Quarterhydrate

C₂₅H_43.5NO_4.25

Wahle, M. C.Byrn, S. R.

Acta Crystallographica Section C (1997) 53, 3 334-339

a=14.0117(11)Å b=8.0111(5)Å c=21.6959(11)Å

α=90.00° β=99.123(5)° γ=90.00°

N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Sesquihydrate

C₂₅H₄₆NO_5.5

Wahle, M. C.Byrn, S. R.

Acta Crystallographica Section C (1997) 53, 3 334-339

a=16.8089(9)Å b=38.7649(10)Å c=7.887(5)Å

α=90.00° β=90.00° γ=90.00°

N,N-dimethyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Hemihydrate

C₂₆H₄₉NO_5.5

Wahle, M. C.Byrn, S. R.

Acta Crystallographica Section C (1997) 53, 3 334-339

a=16.565(3)Å b=39.504(4)Å c=7.824(8)Å

α=90.00° β=90.00° γ=90.00°

C₂₄H₃₉NaO_5,C₂H₆O₁

Wahle, M. C.Stowell, J. G.Byrn, S. R.

Acta Crystallographica Section C (1996) 52, 2 325-328

a=7.7383(17)Å b=15.098(2)Å c=22.515(5)Å

α=90° β=90° γ=90°

α-indomethacin

C₁₉H₁₆ClNO₄

Xiaoming Chen Kenneth R. Morris Ulrich J. Griesser Stephen R. Byrn Joseph G. Stowell

Journal of the American Chemical Society (2002) 124, 50 15012-15019

a=5.4616(16)Å b=25.310(9)Å c=18.152(7)Å

α=90.00° β=94.38(3)° γ=90.00°

Vitamine B1

C₁₂H₂₀Cl₂N₄O₂S

Te, Ruth L.Griesser, Ulrich J.Morris, Kenneth R.Byrn, Stephen R.Stowell, Joseph G.

Crystal Growth & Design (2003) 3, 6 997

a=6.9928(2)Å b=20.6631(10)Å c=11.7695(5)Å

α=90.00° β=98.699(2)° γ=90.00°

Vitamine B1

C₁₂H₁₈Cl₂N₄OS

Te, Ruth L.Griesser, Ulrich J.Morris, Kenneth R.Byrn, Stephen R.Stowell, Joseph G.

Crystal Growth & Design (2003) 3, 6 997

a=7.0994(6)Å b=19.808(2)Å c=11.6378(11)Å

α=90.00° β=101.529(6)° γ=90.00°

C₃₇H₇₁NO₁₅

Stephenson, Gregory A.Stowell, Oseph G.Toma, Pascal H.Pfeiffer, Ralph R.Byrn, Stephen R.

Journal of Pharmaceutical Sciences (1997) 86, 11 1239-1244

a=9.1829(8)Å b=9.6316(7)Å c=47.151(13)Å

α=90° β=90° γ=90°