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(±)-[反式-环己烷-1,2-二亚基双(氮杂二亚基)]二溴化二磷鎓二氯甲烷溶剂合物的晶体结构

Crystal structure of (±)-[trans-cyclo-hexane-1,2-diylbis(aza-nedi-yl)]di-phospho-nium dibromide dichloro-methane disolvate.

作者信息

Rodríguez Álvarez Aurora, Tlahuext Hugo, Grévy Jean-Michel

机构信息

Centro de Investigaciónes Químicas, Universidad Autónoma del Estado de Morelos, Av. Universidad No. 1001, Col. Chamilpa, CP 62209, Cuernavaca Mor., Mexico.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):559-62. doi: 10.1107/S2056989016004576. eCollection 2016 Apr 1.

DOI:10.1107/S2056989016004576
PMID:27375889
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4910354/
Abstract

The cation of the title solvated salt, C42H42N2P2 (2+)·2Br(-)·2CH2Cl2, lies on a crystallographic twofold rotation axis. The 1,2-di-amino-cyclo-hexane fragment has a chair conformation with two N atoms in a transoid conformation [N-C-C-N = 163.4 (2)°]. In the crystal, the cations are linked to the anions by N-H⋯Br and C-H⋯Br hydrogen bonds, forming a chain structure along the c axis. The di-chloro-methane mol-ecule takes part in the hydrogen-bond network through C-H⋯π and C-H⋯Br inter-actions.

摘要

标题溶剂化盐C42H42N2P2(2+)·2Br(-)·2CH2Cl2的阳离子位于一个晶体学二重旋转轴上。1,2-二氨基环己烷片段具有椅式构象,两个N原子呈反式构象[N-C-C-N = 163.4 (2)°]。在晶体中,阳离子通过N-H⋯Br和C-H⋯Br氢键与阴离子相连,沿c轴形成链状结构。二氯甲烷分子通过C-H⋯π和C-H⋯Br相互作用参与氢键网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/5271faab24c9/e-72-00559-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/8896b045afc1/e-72-00559-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/ec9fdc839030/e-72-00559-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/5271faab24c9/e-72-00559-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/8896b045afc1/e-72-00559-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/ec9fdc839030/e-72-00559-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd88/4910354/5271faab24c9/e-72-00559-fig3.jpg

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