Synthesis and X-ray crystallography of cholest-3,5-diene-7-one-oxime |
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Authors: | Rajnikant VK Gupta EH Khan S Shafi Shafiullah Dinesh |
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Institution: | (1) Crystallography Laboratory, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi, 180 006, India;(2) Steroid Research Laboratory, Department of Chemistry, Aligarh Muslim University, Aligarh, 202 002, India |
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Abstract: | Cholest-3,5-diene-7-one-oxime (C27H43NO) was prepared using a usual synthetic route and its three-dimensional structure was determined by X-ray diffraction methods. The transparent platelike crystals of this compound crystallized in the monoclinic space group P21, with unit cell parameters a = 14.302(2) Å, b = 11.475(2) Å, c = 15.919(4) Å, = 106.04(1)°, (Cu K) = 1.5418 Å, Z = 4. The structure was solved by direct methods and refined to an R-value of 0.075 for 4640 observed reflections. Two crystallographically independent molecules were observed in the asymmetric unit cell. The ring A in both the molecules was found to exist in 1,10
half-chair conformation while ring C in chair conformation. The rings B and D in both the molecules adopted different conformations. Three intermolecular interactions of the type C–H O and C–H N were also observed. |
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Keywords: | X-ray crystallography crystal structure ring conformation half-chair sofa |
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