Structure of 17β-hydroxy-1,4-androstadien-3-one monohydrate C19H26O2·H2O

Zdzisław Gałdecki*, Paweł Grochulski, Zdzisław Wawrzak, Andrzej Szyczewski

*Corresponding author for this work

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

The structure of the title compound, C19H26O2·H2O, was determined by X-rays. Mr=304.4, space group P21, a=10.3113(6), b=10.3978(21), c=7.8710(9) Å, γ=89.527(9)°, Vc=844(1) Å3, Z=2, Dx=1.194 Mg m-3. Cu Kα radiation {Mathematical expression}, μ(Cu Kα)=5.9 cm-, F(000)=332. Final R factor=0.046 (Rw=0.047) for 1002 unique reflections. The structure was solved using Multan. The water molecule is the hydrogen donor to O(3) and a hydrogen acceptor from the O(17) hydroxyl group. Ring A is rather flat relative to the rest of the steroid backbone and the O(3)-plane distance is 1.99 Å.

Original languageEnglish (US)
Pages (from-to)933-939
Number of pages7
JournalJournal of Crystallographic and Spectroscopic Research
Volume19
Issue number6
DOIs
StatePublished - Dec 1 1989

ASJC Scopus subject areas

  • Structural Biology
  • Condensed Matter Physics
  • Spectroscopy

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