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Crystal structure of bis-[3-meth-oxy-17?-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)?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.

SUBMITTER: Harrison WT

PROVIDER: S-EPMC4158478 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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

Harrison William T A WT Nahar Lutfun L Turner Alan B AB

Acta crystallographica. Section E, Structure reports online 20140719 Pt 8

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. ...[more]

PMID: 25249855

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