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Crystal and molecular structure of 1,21‐diacetoxy‐11β,17‐dihydroxy‐4‐methyl‐19‐norpregna‐1,3,5(10),8(14)‐tetraen‐20‐one, C 25 H 30 O 7
Author(s) -
Reck G.,
Langbein G.
Publication year - 1985
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.2170201220
Subject(s) - monoclinic crystal system , intramolecular force , crystallography , crystal structure , chemistry , intermolecular force , hydrogen bond , lattice constant , group (periodic table) , x ray crystallography , molecule , stereochemistry , diffraction , physics , organic chemistry , optics
The structure of the title compound has been determined by X‐ray diffraction techniques. It crystallizes in the monoclinic space group P 2 1 with 2 formula units C 25 H 30 O 7 in the unit cell. The lattice constants are a = 10.194, b = 11.790, c = 9.515 Å, and β = 100.69°. The structure was solved by direct methods using MULTAN‐78 and refined by least‐squares calculations to R = 0.061. The molecular configuration and conformation are discussed. The influence of the acetoxy groups and the 11‐hydroxyl group on the steroid backbone is of special interest. There are two symmetry independent intermolecular but no intramolecular hydrogen bridges.