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N'-[(E)-4-氯-亚苄基]吡啶-4-碳酰肼一水合物

N'-[(E)-4-Chloro-benzyl-idene]pyridine-4-carbohydrazide monohydrate.

作者信息

Fun Hoong-Kun, Loh Wan-Sin, Shetty Divya N, Narayana B, Sarojini B K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2303-4. doi: 10.1107/S1600536812029121. Epub 2012 Jun 30.

DOI:10.1107/S1600536812029121
PMID:22798943
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394078/
Abstract

The asymmetric unit of the title compound, C(13)H(10)ClN(3)O·H(2)O, consists of two crystallographically independent Schiff base mol-ecules which exist in an E conformation with respect to the C=N double bond, and two independent water mol-ecules. In the crystal, the Schiff base and water mol-ecules are linked into a three-dimensional network via N-H⋯O, O-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds. The crystal studied was a pseudo-merohedral twin with twin law (101 0-10 00-1) and a component ratio of 0.792 (2):0.208 (2).

摘要

标题化合物C(13)H(10)ClN(3)O·H(2)O的不对称单元由两个晶体学独立的席夫碱分子和两个独立的水分子组成,席夫碱分子相对于C=N双键呈E构型。在晶体中,席夫碱分子和水分子通过N-H⋯O、O-H⋯N、O-H⋯O和C-H⋯O氢键连接成三维网络。所研究的晶体是一个具有(101 0-10 00-1)孪晶律的假准同形孪晶,组分比为0.792 (2):0.208 (2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8fe/3394078/47caeaf94b7f/e-68-o2303-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8fe/3394078/9aa49b63b92b/e-68-o2303-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8fe/3394078/47caeaf94b7f/e-68-o2303-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8fe/3394078/9aa49b63b92b/e-68-o2303-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8fe/3394078/47caeaf94b7f/e-68-o2303-fig2.jpg

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