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(E)-2,4-二羟基苯甲醛4-乙硫基缩氨基脲-4,4'-联吡啶-水(4/7/2)

(E)-2,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone-4,4'-bipyridine-water (4/7/2).

作者信息

Ng Seik Weng

机构信息

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 12;65(Pt 9):o2129. doi: 10.1107/S1600536809030852.

Abstract

The asymmetric unit of the title compound, 7C(10)H(8)N(2)·4C(10)H(13)N(3)O(2)S·2H(2)O, contains two independent 2,4-hydroxy-benzaldehyde 4-ethyl-thio-semicarbazone mol-ecules, three and a half 4,4'-bipyridine mol-ecules and one water mol-ecule. Two of the 4,4'-bipyridine mol-ecules lie on general positions and the other three on centers of inversion. The two 4,4'-bipyridine mol-ecules on general positions and one of the three on special positions are disordered over two positions each with an occupancy of 0.50. The -NH-C(=S)-NH-NC fragment is close to planar in the two 2,4-hydroxy-benzaldehyde 4-ethyl-thio-semicarbazone mol-ecules (r.m.s. deviations = 0.04 and 0.05 Å). In the crystal, the Schiff base, N-heterocycle and water mol-ecules engage in O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions, generating a layer structure.

摘要

标题化合物7C₁₀H₈N₂·4C₁₀H₁₃N₃O₂S·2H₂O的不对称单元包含两个独立的2,4-二羟基苯甲醛4-乙硫基半卡巴腙分子、三个半4,4'-联吡啶分子和一个水分子。两个4,4'-联吡啶分子位于一般位置,另外三个位于对称中心。位于一般位置的两个4,4'-联吡啶分子以及位于特殊位置的三个中的一个在两个位置上无序,占有率均为0.50。在两个2,4-二羟基苯甲醛4-乙硫基半卡巴腙分子中,-NH-C(=S)-NH-NC片段接近平面(均方根偏差分别为0.04和0.05 Å)。在晶体中,席夫碱、含氮杂环和水分子参与O-H⋯O、O-H⋯N和N-H⋯O氢键相互作用,形成层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/88d1/2969953/5bf9a27131f1/e-65-o2129-fig1.jpg

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