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Crystal and Molecular Structures of Modified Progestagens (IV). 17α‐Azidomethyl‐17β‐hydroxy‐estra‐4,9‐dien‐3‐one, C 19 H 25 N 3 O 2
Author(s) -
Reck G.,
Hübner M.,
Bannier G.,
Scharfenberg P.
Publication year - 1986
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.2170210913
Subject(s) - intermolecular force , crystal structure , chemistry , molecule , ring (chemistry) , hydrogen bond , crystal (programming language) , crystallography , steroid , oxygen atom , group (periodic table) , stereochemistry , organic chemistry , biochemistry , hormone , computer science , programming language
The crystal and molecular structure of 17α‐azidomethyl‐17β‐hydroxy‐estra‐4,9‐dien‐3‐one has been determined by X‐ray structure analysis. It crystallizes in the orthorhombie space group P 2 1 2 1 2 1 with cell parameters a = 9.118(1), b = 9.252(1), and c = 20.444(2) Å. The structure was solved by MULTAN‐82 and refined to R = 0.042 for 1408 observed reflections. Steroid ring and 17β‐side chain conformations are discussed in the paper. Intermolecular hydrogen bridges between hydroxyl groups and carbonyl oxygen atoms link molecules forming chains in c ‐direction.