Crystal structure of bis­­[3-meth­­oxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate

William T. A. Harrison; Lutfun Nahar; Alan B. Turner

doi:10.1107/S1600536814009349

Crystal structure of bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate

William T. A. Harrison
, Lutfun Nahar
, Alan B. Turner

Chemistry

Research output: Contribution to journal › Article › peer-review

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Abstract

In the title compound, C40H50O6, a symmetrical steroid oxalate diester, the dihedral angle between the CO2 planes of the oxalate linker is 61.5 (5)° and the C-C bond length is 1.513 (6) Å. The steroid B, C and D rings adopt half-chair, chair and envelope conformations, respectively, in both halves of the mol-ecule, which adopts an overall shallow V-shaped conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming a three-dimensional network.

Original language	English
Pages (from-to)	62-64
Number of pages	3
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	70
Issue number	8
Early online date	19 Jul 2014
DOIs	https://doi.org/10.1107/S1600536814009349
Publication status	Published - 1 Aug 2014

Bibliographical note

We thank the EPSRC National Crystallography Service (University of Southampton) for the data collection.

Keywords

Crystal structure
Oxalate
Diester
Steroid
Conformation

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Crystal structure of bis[3-methoxy-17b-estra- 1,3,5(10)-trien-17-yl] oxalate
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Cite this

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title = "Crystal structure of bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate",

abstract = "In the title compound, C40H50O6, a symmetrical steroid oxalate diester, the dihedral angle between the CO2 planes of the oxalate linker is 61.5 (5)° and the C-C bond length is 1.513 (6) {\AA}. The steroid B, C and D rings adopt half-chair, chair and envelope conformations, respectively, in both halves of the mol-ecule, which adopts an overall shallow V-shaped conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming a three-dimensional network.",

keywords = "Crystal structure, Oxalate, Diester, Steroid, Conformation",

author = "Harrison, \{William T. A.\} and Lutfun Nahar and Turner, \{Alan B.\}",

note = "We thank the EPSRC National Crystallography Service (University of Southampton) for the data collection.",

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AU - Harrison, William T. A.

AU - Nahar, Lutfun

AU - Turner, Alan B.

N1 - We thank the EPSRC National Crystallography Service (University of Southampton) for the data collection.

PY - 2014/8/1

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AB - In the title compound, C40H50O6, a symmetrical steroid oxalate diester, the dihedral angle between the CO2 planes of the oxalate linker is 61.5 (5)° and the C-C bond length is 1.513 (6) Å. The steroid B, C and D rings adopt half-chair, chair and envelope conformations, respectively, in both halves of the mol-ecule, which adopts an overall shallow V-shaped conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming a three-dimensional network.

KW - Crystal structure

KW - Oxalate

KW - Diester

KW - Steroid

KW - Conformation

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JO - Acta Crystallographica Section E: Structure Reports Online

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