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2 -(2H - 四唑 - 5 - 基)吡啶高氯酸盐一水合物

2-(2H-Tetra-zol-5-yl)pyridinium perchlorate monohydrate.

作者信息

Dai Jing, Zheng Wen-Ni

机构信息

Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast UniVersity, Nanjing 210096, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 9;66(Pt 1):o71. doi: 10.1107/S160053680905199X.

Abstract

In the cation of the title compound, C(6)H(6)N(5) (+)·ClO(4) (-)·H(2)O, the pyridinium and tetra-zole rings are essentially coplanar, making a dihedral angle of 1.2 (2)°. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the cations, anions and water mol-ecules into a ribbon-like structure along the c axis. Adjacent ribbons are linked via π-π stacking inter-actions between the tetra-zole rings, with a centroid-centroid distance of 3.484 (2) Å.

摘要

在标题化合物C(6)H(6)N(5)(+)·ClO(4)(-)·H(2)O的阳离子中,吡啶鎓环和四唑环基本共面,二面角为1.2 (2)°。在晶体中,分子间的N - H⋯O和O - H⋯O氢键将阳离子、阴离子和水分子沿c轴连接成带状结构。相邻的带通过四唑环之间的π - π堆积相互作用相连,质心间距为3.484 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d96/2980014/0c0f364dddac/e-66-00o71-fig1.jpg

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