Structure analysis of 3 beta-chloro-6-nitrocholest-5-ene

The crystal structure of the title compound (C27H44NO2Cl) is determined by X-ray structure analysis. The compound crystallizes in the orthorhombic spa ce group P2(1)2(1)2(1) With the unit cell parameters a = 7.207(1) Angstrom, b 11.292(1) Angstrom, and c = 32.373(5) Angstrom. The structure is solved by direct methods and refined to R = 0.060. Rings A and C exist in the chai r conformation. Ring B adopts a half-chair conformation, and ring D is a 13 beta envelope. The A/B ring junction is quasi-tl ans, while the B/C and C/ D ring systems are trans fused about the C(8)-C(9) and C(13)-C(14) bonds, r espectively. Molecules are linked together by the C-H...O hydrogen bonds. ( C) 2001 MAIK "Nauka/lnterperiodica".