X-ray crystallography of cholest-3,5-diene-7-one |
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Authors: | Rajnikant Dinesh Anshu Sawhney Mousmi Shafiullah |
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Affiliation: | (1) Condensed Matter Physics Group, Post Graduate Department of Physics, University of Jammu, Jammu Tawi, 180006, India;(2) Department of Chemistry, Aligarh Muslim University, Aligarh, India |
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Abstract: | The molecular structure of cholest-3,5-diene-7-one (C27H42O) is determined by X-ray diffraction. The compound crystallizes in the orthorhombic crystal system (space group P212121) with unit cell parameters a = 11.281(5) Å, b = 11.350(5) Å, c= 18.518(5) Å, and Z = 4. The structure is solved by direct methods and refined to an R-value of 0.054 for 1070 observed reflections Fo > 4σ(Fo)]. Ring A adopts a distorted half-chair conformation, ring B exists in sofa conformation, ring C acquires a chair conformation, and the five-membered ring D occurs in distorted half-chair conformation. The crystal structure is stabilized by van der Waals forces. |
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