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高氯酸(1H-苯并咪唑-2-基)甲铵-18-冠-6-水合物(1/1/1)

(1H-Benzimidazol-2-yl)methanaminium perchlorate-18-crown-6-water (1/1/1).

作者信息

Sun Su-Wen

机构信息

Ordered Matter Science Research Cente, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o25. doi: 10.1107/S1600536811050665. Epub 2011 Dec 3.

Abstract

The crystal structure of the title compound C(8)H(10)N(3) (+)·ClO(4) (-)·C(12)H(24)O(6)·H(2)O, consists of an organic (1H-benzimidazol-2-yl)methanaminium cation, an inorganic ClO(4) (-) anion, one 18-crown-6 mol-ecule and one water mol-ecule. In the crystal, the cations and 18-crown-6 mol-ecules are linked by N-H⋯O hydrogen bonds. The crystal packing is stabilized by inter-molecular O-H⋯O, O-H⋯N and O-H⋯Cl hydrogen bonds between anions and the water mol-ecules. One 18-crown-6 C atom and a perchlorate O atom are disordered; both have an occupancy factor ratio of 0.60 (2) and 0.40 (2).

摘要

标题化合物C(8)H(10)N(3) (+)·ClO(4) (-)·C(12)H(24)O(6)·H(2)O的晶体结构由一个有机(1H-苯并咪唑-2-基)甲铵阳离子、一个无机ClO(4) (-)阴离子、一个18-冠-6分子和一个水分子组成。在晶体中,阳离子和18-冠-6分子通过N-H⋯O氢键相连。晶体堆积通过阴离子与水分子之间的分子间O-H⋯O、O-H⋯N和O-H⋯Cl氢键得以稳定。一个18-冠-6 C原子和一个高氯酸根O原子无序;两者的占有率因子比均为0.60 (2)和0.40 (2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bb8c/3254365/7625ed674a10/e-68-00o25-fig1.jpg

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