trans-2,5-Di­methyl­piperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications

Roisnel, T.¹  Ben Mleh, C.²  Marouani, H.² 

[1] Centre de Diffractométrie X, UMR 6226 CNRS, Unité Sciences Chimiques de Rennes, Université de Rennes I, 263 Avenue du, Général Leclerc, 35042 Rennes, France;Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte, Université de Carthage, Tunisia

关键词: CRYSTAL STRUCTURE;    PIPERAZINE DERIVATIVE;    MOLECULAR SALT;    HYDROGEN BONDING;    HIRSHFELD SURFACE ANALYSIS;   

DOI  :  10.1107/S205698901600520X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title hydrated mol­ecular salt, C6H16N22+·2ClO4−·2H2O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water mol­ecule. The extended structure consists of infinite chains of formula [(ClO4)H2O]nn− ions extending along the b axis linked by Ow—H⋯O (w = water) hydrogen bonds. These chains are cross-linked by the dications via N—H⋯Ow and weak C—H⋯O hydrogen bonds, thus forming a three-dimensional supra­molecular network. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H⋯O/O⋯H and H⋯H contacts.

【 授权许可】

CC BY