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3β-氯胆甾-5-烯的第二种单斜晶多晶型物。

A second monoclinic polymorph of 3β-chloro-cholest-5-ene.

作者信息

Khan Mohd Shaheen, Sulaiman Othman, Mohamed Issam Ahmed, Yeap Chin Sing, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 8;66(Pt 6):o1249-50. doi: 10.1107/S1600536810015722.

Abstract

The title compound, C(27)H(45)Cl, is a second monoclinic polymorph which crystallizes in the space group P2(1) with four crystallographically independent mol-ecules in the asymmetric unit. The structure was previously reported [Bernal et al. (1940 ▶). Philos. Trans. R. Soc. London Ser. B, 239, 135-182; Vani & Vijayan (1979 ▶). Mol. Cryst. Liq. Cryst.51, 253-264], also in the space group P2(1), but with two unique mol-ecules in the asymmetric unit. As in the previously reported structures, rings A and C in the mol-ecule adopt chair conformations with half-chair conformations for rings B and D. The ring junctions B-C and C-D are trans, whereas the junction A-B is quasi-trans. In the crystal structure, mol-ecules are arranged in a head-to-tail fashion along a and are stacked along the b axis.

摘要

标题化合物C(27)H(45)Cl是第二种单斜多晶型物,它在空间群P2(1)中结晶,不对称单元中有四个晶体学独立分子。该结构先前已有报道[Bernal等人(1940 ▶)。《伦敦皇家学会哲学学报》B辑,239,135 - 182;Vani和Vijayan(1979 ▶)。《分子晶体与液晶》51,253 - 264],同样在空间群P2(1)中,但不对称单元中有两个独特分子。与先前报道的结构一样,分子中的环A和环C呈椅式构象,环B和环D呈半椅式构象。环连接B - C和C - D为反式,而连接A - B为准反式。在晶体结构中,分子沿a轴头对尾排列,并沿b轴堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/925d/2979588/ac54f907d5f2/e-66-o1249-fig1.jpg

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