Crystal and Molecular Structure of 3-Methoxy-estra-1,3,5(10)-trien-17β-ol |
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Authors: | Gü nter Reck,Gerd Schubert,Gloria Bannier |
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Abstract: | The crystal structure determination of the title compound was undertaken to determine the conformational flexibility of the steroid skeleton. 3-Methoxy-estra-1,3,5(10)-trien-17β-ol (C19H26O2) crystallizes in the space group P212121 with Z = 12, a = 12.589(2), b = 16.274(5), and c = 23.535(6) Å. The structure was solved by direct methods and refined to R = 0.056. Three symmetry independent molecules having different molecular conformations were observed in the crystal. The most flexible region of the molecules is the B ring which adopts following conformations: 7α,8β-half-chair, 8β-sofa, and an intermediate form between half-chair and sofa. |
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