三环己基膦硫化物的三斜多晶型物：晶体结构与 Hirshfeld 表面分析
A triclinic polymorph of tri-cyclo-hexyl-phosphane sulfide: crystal structure and Hirshfeld surface analysis.
作者信息
Tan Yi Jiun, Yeo Chien Ing, Halcovitch Nathan R, Jotani Mukesh M, Tiekink Edward R T
机构信息
Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
Department of Chemistry, Lancaster University, Lancaster LA1 4YB, United Kingdom.
出版信息
Acta Crystallogr E Crystallogr Commun. 2017 Mar 10;73(Pt 4):493-499. doi: 10.1107/S205698901700353X. eCollection 2017 Apr 1.
The title compound, (CH)PS (systematic name: tri-cyclo-hexyl-λ-phosphane-thione), is a triclinic (-1, ' = 1) polymorph of the previously reported ortho-rhom-bic form (, ' = 1/2) [Kerr (1977 ▸). . , 3081-3085; Reibenspies (1996 ▸). . , 400]. While conformational differences exist between the non-symmetric mol-ecule in the triclinic polymorph, . the mirror-symmetric mol-ecule in the ortho-rhom-bic form, these differences are not chemically significant. The major feature of the mol-ecular packing in the triclinic polymorph is the formation of linear chains along the axis sustained by methine-C-H⋯S(thione) inter-actions. The chains pack with no directional inter-actions between them. The analysis of the Hirshfeld surface for both polymorphs indicates a high degree of similarity, being dominated by H⋯H ( 90%) and S⋯H/H⋯S contacts.
标题化合物(CH)PS（系统名称：三环己基-λ-膦硫酮）是先前报道的正交晶系形式（，' = 1/2）[Kerr (1977 ▸). . , 3081 - 3085; Reibenspies (1996 ▸). . , 400]的三斜晶系（-1, ' = 1）多晶型物。虽然三斜晶系多晶型物中的非对称分子与正交晶系形式中的镜像对称分子之间存在构象差异，但这些差异在化学上并不显著。三斜晶系多晶型物中分子堆积的主要特征是沿着轴形成由次甲基-C-H⋯S（硫酮）相互作用维持的线性链。这些链堆积时彼此之间没有定向相互作用。对两种多晶型物的 Hirshfeld 表面分析表明高度相似，主要由H⋯H（90%）和S⋯H/H⋯S接触主导。
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