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Die Röntgenstrukturanalyse von 17β‐Bromacetoxy‐ 9β, 10α‐androst‐4‐en‐3‐on
Author(s) -
Oberhänsli W. E.,
Robertson J. Monteath
Publication year - 1967
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19670500110
Subject(s) - chemistry , orthorhombic crystal system , bent molecular geometry , crystallography , ring (chemistry) , molecule , bond length , envelope (radar) , crystal structure , stereochemistry , telecommunications , radar , organic chemistry , computer science
The structure of 17β‐bromacetoxy‐9β, 10α‐androst‐4‐en‐3‐one has been determined by three‐dimensional X‐ray crystallographic methods. The crystals of the restrosteroid belong to the orthorhombic space group P 2 1 2 1 2 1 with four molecules per unit cell. The cell constants are a = 11.32 Å, b = 13.71 Å and c = 12.52 Å. The absolute configuration of the molecule has been determined by the anomalous dispersion method. Bond length, bond angles and distances of atoms from ‘best planes’ are given. Ring A represents a distorted half‐chair, ring B and C a chair and ring D an envelope conformation. The molecule shows, contrary to normal 9α, 10β‐steroids, a bent shape.