Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 1281 - Abstract -

Rajnikant, V. K. Gupta, E. H. Khan*, S. Shafi*, S. Hashmi*, Shafiullah*, B. Varghese**, Dinesh

Crystallography Laboratory, Department of Physics, University of Jammu, Jammu Tawi, India
*Steroid Research Laboratory, Department of Chemistry, Aligarh Muslim University, Aligarh, India
**Regional Sophisticated Instrumentation Centre, Indian Institute of Technology, Chennai, India

Crystallographic Investigations of 3 β-acetoxy-5 α-cholestan-6-one-semicarbazone – A Steroid

The crystal structure of 3 β-acetoxy-5 α-cholestan-6-one-semicarbazone (C30H51O3 N3) has been determined by X-ray diffraction methods. It crystallizes in the orthorhombic space group P212121 with cell parameters a = 11.641(1), b = 16.552(1) c = 31.181(4) Å and Z = 8. The structure has been refined to an R-value of 0.050 for 4407 observed reflections. Two molecules in the asymmetric unit have been observed. In both the crystallographically independent molecules, all the three six-membered rings (A, B and C ) of steroid nucleus exist in chair conformation, while the five- membered ring D exists in 13 β distorted-envelope in molecule-I and 13 β, 14 α half-chair conformation in molecule-II. Three intermolecular N-H...O hydrogen bonds have been observed.

Keywords: crystal structure, steroid


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