2001•Crystal Research and TechnologyRequires access
Crystal Structure of 6-Nitro-cholest-5-ene
Rajni Kant, Vivek K. Gupta, E. H. Khan, Sheeba Shafi, Jamal Firoz, Shafiullah, Rahul Gupta
Open publisher page 8 citations
Abstract
The crystal structure of the title compound (C27H45NO2) has been determined by X-ray crystallographic techniques. The compound crystallizes in the monoclinic space group P21 with unit cell parameters a = 12.143(2), b =10.835(2), c = 19.747(4) Å, b = 101.29(1)°. The structure has been solved by direct methods and refined to R=0.064. There are two crystallographically independent molecules, I and II, in the asymmetric unit. In both the molecules, rings A, B and C are conformationally very similar, however pronounced differences are observed in the D ring which assumes a distorted envelope conformation in molecule I and a distorted half-chair conformation in molecule II. The A/B ring junction is quasi-trans while ring systems B/C and C/D are trans fused in both the molecules I and II. Two bifurcated intramole-cular hydrogen bonds have been observed. Molecules are held together by intermolecular C-H...O hydrogen bonds.