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4-氯-2-[(E)-({4-[N-(3,4-二甲基异恶唑-5-基)氨磺酰基]苯基}亚氨基)甲基]苯酚盐

4-Chloro-2-[(E)-({4-[N-(3,4-dimethyl-isoxazol-5-yl)sulfamo-yl]phen-yl}iminio)meth-yl]phenolate.

作者信息

Shad Hazoor A, Chohan Zahid H, Tahir M Nawaz, Khan Islam Ullah

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Feb 27;64(Pt 3):o635. doi: 10.1107/S1600536808005321.

Abstract

The title compound, C(18)H(16)ClN(3)O(4)S, is a Schiff base ligand in which the H atom of the hydr-oxy group has moved to the N atom of the imine group, resulting in a zwitterion. The structure is stabilized by an intra-molecular (N-H⋯O) and five inter-molecular (C-H⋯O, C-H⋯N and N-H⋯O) hydrogen bonds. The mol-ecules are linked to each other by hydrogen bonds and form a three-dimensional polymeric network. In addition, the aromatic rings are also involved in π-π inter-actions [centroid-centroid distance between aromatic rings = 3.7525 (11) Å].

摘要

标题化合物C(18)H(16)ClN(3)O(4)S是一种席夫碱配体,其中羟基的H原子已迁移至亚胺基的N原子上,形成了一个两性离子。该结构通过一个分子内(N-H⋯O)和五个分子间(C-H⋯O、C-H⋯N和N-H⋯O)氢键得以稳定。分子通过氢键相互连接,形成三维聚合物网络。此外,芳香环还参与π-π相互作用[芳香环之间的质心-质心距离 = 3.7525 (11) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6998/2960758/ce8457792785/e-64-0o635-fig1.jpg

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