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（E）-N'-（5-氯-2-羟基-亚苄基）-4-（8-喹啉氧基）丁酰肼一水合物

(E)-N'-(5-Chloro-2-hydroxy-benzyl-idene)-4-(8-quinol-yloxy)butanohydrazide monohydrate.

作者信息

Zhang Jian, Xiahou Guo-Lun, Zhang Sheng-Sen, Zeng Jing

机构信息

College of Pharmacy, Gannan Medical University, Ganzhou, Jiangxi 341000, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1695-6. doi: 10.1107/S1600536809023733.

DOI:10.1107/S1600536809023733
PMID:21582950
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969487/
Abstract

The crystal of the title Schiff base compound, C(20)H(18)ClN(3)O(3)·H(2)O, was twinned by a twofold rotation about (100). The asymmetric unit contains two crystallographically independent mol-ecules with similar conformations, and two water mol-ecules. The C=N-N angles of 115.7 (6) and 116.2 (6)° are significantly smaller than the ideal value of 120° expected for sp(2)-hybridized N atoms and the dihedral angles between the benzene ring and quinoline ring system in the two mol-ecules are 52.5 (7) and 53.9 (7)°. The mol-ecules aggregate via C-Cl⋯π and π-π inter-actions [centroid-centroid distances = 3.696 (5)-3.892 (5) Å] and weak C-H⋯O inter-actions as parallel sheets, which are further linked by water mol-ecules through N-H⋯O and O-H⋯O hydrogen bonds into a supra-molecular two-dimensional network.

摘要

标题席夫碱化合物C(20)H(18)ClN(3)O(3)·H(2)O的晶体通过围绕(100)的二次旋转形成孪晶。不对称单元包含两个具有相似构象的晶体学独立分子和两个水分子。C=N-N角为115.7 (6)°和116.2 (6)°，明显小于sp(2)杂化N原子预期的理想值120°，并且两个分子中苯环与喹啉环系统之间的二面角为52.5 (7)°和53.9 (7)°。分子通过C-Cl⋯π和π-π相互作用[质心-质心距离 = 3.696 (5)-3.892 (5) Å]以及弱C-H⋯O相互作用聚集形成平行片层，这些片层通过水分子通过N-H⋯O和O-H⋯O氢键进一步连接成超分子二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396e/2969487/2f28378fd95f/e-65-o1695-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396e/2969487/f8bf8b36275a/e-65-o1695-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396e/2969487/2f28378fd95f/e-65-o1695-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396e/2969487/f8bf8b36275a/e-65-o1695-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396e/2969487/2f28378fd95f/e-65-o1695-fig2.jpg

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