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(R(p))-1-{(R)-(二甲基氨基)[2-(二苯基膦基)苯基]甲基}-2-(二苯基膦基)二茂铁氯仿溶剂化物

(R(p))-1-{(R)-(Dimethyl-amino)[2-(diphenyl-phosphan-yl)phen-yl]methyl}-2-(diphenyl-phosphan-yl)ferrocene chloro-form solvate.

作者信息

Bats Jan W, Rivas Nass Andreas, Doppiu Angelino, Karch Ralf, Hashmi A Stephen K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 29;64(Pt 12):m1639. doi: 10.1107/S160053680803955X.

Abstract

The absolute configuration of the title mol-ecule, [Fe(C(5)H(5))(C(38)H(34)NP(2))]·CHCl(3), is R,R(p). The mol-ecular structure is similar to the structure of the solvent-free compound [Fukuzawa, Yamamoto & Kikuchi (2007 ▶). J. Org. Chem. 72, 1514-1517], but some torsion angles about the P-C(phen-yl) bonds differ by up to 25°. The P atoms and the N atom have a distorted trigonal-pyramidal geometry. The chloro-form solvate group donates a C-H⋯π bond to the central benzene ring and is also involved in six inter-molecular C-H⋯Cl contacts with H⋯Cl distances between 2.96 and 3.13 Å.

摘要

标题分子[Fe(C₅H₅)(C₃₈H₃₄NP₂)]·CHCl₃的绝对构型为R,R(p)。分子结构与无溶剂化合物[Fukuzawa, Yamamoto & Kikuchi (2007 ▶). J. Org. Chem. 72, 1514 - 1517]的结构相似,但围绕P-C(苯基)键的一些扭转角相差高达25°。P原子和N原子具有扭曲的三角锥几何构型。氯仿溶剂化物基团向中心苯环提供一个C-H⋯π键,并且还参与了六个分子间C-H⋯Cl接触,H⋯Cl距离在2.96至3.13 Å之间。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc87/2959829/0f3d5ab26692/e-64-m1639-fig1.jpg

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