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The Crystal Structure of 3‐Methoxy‐estra‐1,3,5(10)triene‐16αBr,17αOH
Author(s) -
Szulzewsky K.
Publication year - 1979
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19790141206
Subject(s) - intramolecular force , van der waals force , orthorhombic crystal system , chemistry , ring (chemistry) , intermolecular force , crystal structure , crystallography , molecule , cyclohexane conformation , stereochemistry , hydrogen bond , organic chemistry
The steroid 3‐Methoxy‐estra‐1,3,5(10)triene‐16αBr,17αOH crystallizes in the orthorhombic space group P 2 1 2 1 2 1 with lattice constants a = 30.653(5) Å, b = 9.039(2) Å, c = 6.098(1) Å. The single molecule has an intramolecular OH… Br interaction. Intermolecular interactions are only of van der Waals type. Ring A is nearly planar, ring B has a nearly half chair conformation, ring C has a chair conformation and ring D an envelope conformation.