16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate

In the title compound, C(22)H(28)N(2)O(2)·H(2)O, rings B and C adopt chair conformations. Ring A adopts an envelope conformation, with the non-fused C atom adjacent to the fused C atom bearing a methyl group as the flap atom. Ring D also adopts an envelope conformation, with the fused C atom not bea...

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Autores principales: Anitha, A. G., Hema, R., Bansal, Ranju, Thota, Sridhar, Rizwana Begum, S.
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/PMC3414280/
https://www.ncbi.nlm.nih.gov/pubmed/22904813
http://dx.doi.org/10.1107/S1600536812029479
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author Anitha, A. G.
Hema, R.
Bansal, Ranju
Thota, Sridhar
Rizwana Begum, S.
author_facet Anitha, A. G.
Hema, R.
Bansal, Ranju
Thota, Sridhar
Rizwana Begum, S.
author_sort Anitha, A. G.
collection PubMed
description In the title compound, C(22)H(28)N(2)O(2)·H(2)O, rings B and C adopt chair conformations. Ring A adopts an envelope conformation, with the non-fused C atom adjacent to the fused C atom bearing a methyl group as the flap atom. Ring D also adopts an envelope conformation, with the fused C atom not bearing a methyl group as the flap atom. The water mol­ecule links the mol­ecules via O—H⋯O and O—H⋯N hydrogen bonds, forming zigzag chains which run parallel to the c axis. Weak C—H⋯O inter­actions also occur.
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spelling pubmed-34142802012-08-17 16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate Anitha, A. G. Hema, R. Bansal, Ranju Thota, Sridhar Rizwana Begum, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(28)N(2)O(2)·H(2)O, rings B and C adopt chair conformations. Ring A adopts an envelope conformation, with the non-fused C atom adjacent to the fused C atom bearing a methyl group as the flap atom. Ring D also adopts an envelope conformation, with the fused C atom not bearing a methyl group as the flap atom. The water mol­ecule links the mol­ecules via O—H⋯O and O—H⋯N hydrogen bonds, forming zigzag chains which run parallel to the c axis. Weak C—H⋯O inter­actions also occur. International Union of Crystallography 2012-07-07 /pmc/articles/PMC3414280/ /pubmed/22904813 http://dx.doi.org/10.1107/S1600536812029479 Text en © Anitha 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
Anitha, A. G.
Hema, R.
Bansal, Ranju
Thota, Sridhar
Rizwana Begum, S.
16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate
title 16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate
title_full 16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate
title_fullStr 16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate
title_full_unstemmed 16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate
title_short 16α,17α-Ep­oxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate
title_sort 16α,17α-ep­oxy-17β-(1h-imidazol-1-yl)androst-4-en-3-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414280/
https://www.ncbi.nlm.nih.gov/pubmed/22904813
http://dx.doi.org/10.1107/S1600536812029479
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