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16?,17?-Ep-oxy-17?-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate.

ABSTRACT: 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 mol-ecule links the mol-ecules via O-H?O and O-H?N hydrogen bonds, forming zigzag chains which run parallel to the c axis. Weak C-H?O inter-actions also occur.

SUBMITTER: Anitha AG

PROVIDER: S-EPMC3414280 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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

Anitha A G AG Hema R R Bansal Ranju R Thota Sridhar S Rizwana Begum S S

Acta crystallographica. Section E, Structure reports online 20120707 Pt 8

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 mol-ecule links the mol-ecules via O-H⋯O and O-H⋯N hydrogen bonds, forming zigzag chains which run parallel to the c axis. Weak C-H⋯O inter-actions also ...[more]

PMID: 22904813

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