3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane

The asymmetric unit of the title compound, C(30)H(48)ClN(3)O, contains two mol­ecules, A and B. In both mol­ecules, the three cyclo­hexane rings in the steroid fused ring systems adopt chair conformations, while the cyclo­pentane rings adopt envelope and twist conformations in mol­ecules A and B, re...

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Autores principales: Yusufzai, Samina Khan, Osman, Hasnah, Abdul Rahim, Aisyah Saad, Arshad, Suhana, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344016/
https://www.ncbi.nlm.nih.gov/pubmed/22589925
http://dx.doi.org/10.1107/S1600536812009336
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author Yusufzai, Samina Khan
Osman, Hasnah
Abdul Rahim, Aisyah Saad
Arshad, Suhana
Razak, Ibrahim Abdul
author_facet Yusufzai, Samina Khan
Osman, Hasnah
Abdul Rahim, Aisyah Saad
Arshad, Suhana
Razak, Ibrahim Abdul
author_sort Yusufzai, Samina Khan
collection PubMed
description The asymmetric unit of the title compound, C(30)H(48)ClN(3)O, contains two mol­ecules, A and B. In both mol­ecules, the three cyclo­hexane rings in the steroid fused ring systems adopt chair conformations, while the cyclo­pentane rings adopt envelope and twist conformations in mol­ecules A and B, respectively. In mol­ecule B, the cyano group is disordered over two orientations with refined site-occupancies of 0.593 (8) and 0.407 (8). An intra­molecular C—H⋯N inter­action forms an S(10) ring in both mol­ecules. In the crystal, mol­ecules are linked by N—H⋯O, C—H⋯O and C—H⋯N inter­actions, resulting is chains propagating along the a-axis direction.
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spelling pubmed-33440162012-05-15 3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane Yusufzai, Samina Khan Osman, Hasnah Abdul Rahim, Aisyah Saad Arshad, Suhana Razak, Ibrahim Abdul Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(30)H(48)ClN(3)O, contains two mol­ecules, A and B. In both mol­ecules, the three cyclo­hexane rings in the steroid fused ring systems adopt chair conformations, while the cyclo­pentane rings adopt envelope and twist conformations in mol­ecules A and B, respectively. In mol­ecule B, the cyano group is disordered over two orientations with refined site-occupancies of 0.593 (8) and 0.407 (8). An intra­molecular C—H⋯N inter­action forms an S(10) ring in both mol­ecules. In the crystal, mol­ecules are linked by N—H⋯O, C—H⋯O and C—H⋯N inter­actions, resulting is chains propagating along the a-axis direction. International Union of Crystallography 2012-03-14 /pmc/articles/PMC3344016/ /pubmed/22589925 http://dx.doi.org/10.1107/S1600536812009336 Text en © Yusufzai et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Yusufzai, Samina Khan
Osman, Hasnah
Abdul Rahim, Aisyah Saad
Arshad, Suhana
Razak, Ibrahim Abdul
3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
title 3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
title_full 3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
title_fullStr 3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
title_full_unstemmed 3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
title_short 3β-Chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
title_sort 3β-chloro-6-[2-(2-cyano­acet­yl)hydrazin-1-yl­idene]-5α-cholestane
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344016/
https://www.ncbi.nlm.nih.gov/pubmed/22589925
http://dx.doi.org/10.1107/S1600536812009336
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