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X‐ray structure analysis of 4‐pregnen‐11α‐ol‐3,20‐dione—A steroid
Author(s) -
Gupta Vivek K.,
Goswami K. N.,
Bhutani K. K.
Publication year - 1994
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170290120
Subject(s) - orthorhombic crystal system , ring (chemistry) , chemistry , crystal structure , hydrogen bond , cyclohexane conformation , molecule , crystallography , envelope (radar) , steroid , stereochemistry , telecommunications , radar , biochemistry , organic chemistry , computer science , hormone
The crystal structure of 4‐Pregnen‐11α‐ol‐3,20‐dione has been determined by X‐ray structure analysis. The compound crystallizes in the orthorhombic space group P2 1 2 1 2 1 with cell parameters a = 8.4415(4), b = 10.6884(3), c = 20.1273(5) Å. The structure has been solved by direct methods and refined to R = 0.050. Ring A exists in half‐chair conformation. Rings B and C adopt a chair conformation, and ring D is a 13α‐envelope. The A/B ring junction is quasi ‐ trans , whilst ring systems B/C and C/D are trans fused about the bonds C(8)–C(9) and C(13)–C(14). Molecules are held together by hydrogen bonds.