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2,2'-(二硫代二亚基)二苯甲酸 - N,N'-双 -(4 - 吡啶甲基)乙烷二硫代酰胺(1/1)

2,2'-(Disulfanedi-yl)dibenzoic acid-N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide (1/1).

作者信息

Arman Hadi D, Miller Tyler, Poplaukhin Pavel, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 18;66(Pt 10):o2592. doi: 10.1107/S1600536810036755.

Abstract

The asymmetric unit of the title co-crystal, C(14)H(14)N(4)S(2)·C(14)H(10)O(4)S(2), comprises a twisted 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule [dihedral angle between the benzene rings = 83.53 (14)°] and a U-shaped mol-ecule of N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide in which intra-molecular N-H⋯S hydrogen bonds are observed. Two mol-ecules of each form a centrosymmetric ring, with an extended chair conformation, mediated by carbox-yl-pyridine O-H⋯N hydrogen bonds between the carboxylic acid groups of two 2,2'-(disulfanediyl)dibenzoic acid molecules and pyridine-N atoms of two N,N'-bis(4-pyridylmethyl)ethanedithioamide molecules. The tetra-meric aggregates are linked into a supra-molecular chain along the b axis via amide-carbonyl N-H⋯O hydrogen bonds.

摘要

标题共晶体C(14)H(14)N(4)S(2)·C(14)H(10)O(4)S(2)的不对称单元包含一个扭曲的2,2'-(二硫烷二基)二苯甲酸分子[苯环之间的二面角 = 83.53 (14)°]和一个N,N'-双(4-吡啶甲基)乙二硫酰胺的U形分子,其中观察到分子内N-H⋯S氢键。每种分子的两个分子形成一个中心对称环,具有伸展的椅式构象,由两个2,2'-(二硫烷二基)二苯甲酸分子的羧酸基团与两个N,N'-双(4-吡啶甲基)乙二硫酰胺分子的吡啶-N原子之间的羧基-吡啶O-H⋯N氢键介导。四聚体聚集体通过酰胺-羰基N-H⋯O氢键沿b轴连接成超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f1d4/2983272/12de289a41a9/e-66-o2592-fig1.jpg

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