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N-【双（二甲基氨基）亚甲基】-2-【（三苯基甲基）硫烷基】乙铵六氟磷酸盐

N-[Bis(dimethyl-amino)-methyl-idene]-2-[(triphenyl-meth-yl)sulfan-yl]ethanaminium hexa-fluoro-phosphate.

作者信息

Neuba Adam, Flörke Ulrich, Henkel Gerald

机构信息

Department Chemie, Fakultät für Naturwissenschaften, Universität Paderborn, Warburgerstrasse 100, D-33098 Paderborn, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1238-9. doi: 10.1107/S1600536811014929. Epub 2011 Apr 29.

DOI:10.1107/S1600536811014929
PMID:21754533
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089070/
Abstract

The mol-ecular structure of the title compound, C(26)H(32)N(3)S(+)·PF(6) (-), shows a protonated guanidyl group bridged by an ethyl-ene linker with a tritylsulfanyl unit. The guanidinium (gua) unit displays charge delocalization over the three N-C(gua) bonds. The N-C-C-S group shows a folded nonplanar conformation with a torsion angle of 158.4 (1)°. In the crystal, the cation and anion are linked by an N-H⋯F inter-action.

摘要

标题化合物C(26)H(32)N(3)S(+)·PF(6) (-)的分子结构显示，一个质子化胍基通过一个带有三苯甲基硫烷基单元的乙烯连接基桥连。胍鎓（gua）单元在三个N-C(gua)键上表现出电荷离域。N-C-C-S基团呈现出折叠的非平面构象，扭转角为158.4 (1)°。在晶体中，阳离子和阴离子通过N-H⋯F相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8eb4/3089070/25c804caba7c/e-67-o1238-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8eb4/3089070/25c804caba7c/e-67-o1238-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8eb4/3089070/25c804caba7c/e-67-o1238-fig1.jpg

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