Ben Mleh Cherifa, Roisnel Thierry, Marouani Houda
Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte, Université de Carthage, Tunisia.
Centre de Diffractométrie X, UMR 6226 CNRS, Unité Sciences Chimiques de Rennes, Université de Rennes I, 263 Avenue du, Général Leclerc, 35042 Rennes, France.
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):593-6. doi: 10.1107/S205698901600520X. eCollection 2016 Apr 1.
The asymmetric unit of the title hydrated mol-ecular salt, C6H16N2 (2+)·2ClO4 (-)·2H2O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water mol-ecule. The extended structure consists of infinite chains of formula [(ClO4)H2O] n (n) (-) 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 supra-molecular 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.
标题水合分子盐C6H16N2(2+)·2ClO4(-)·2H2O的不对称单元包含一个半双阳离子（通过反演对称性完成）、一个高氯酸根阴离子和一个水分子。扩展结构由化学式为[(ClO4)H2O]n(n)(-)的离子沿b轴延伸的无限链组成，这些链通过Ow-H⋯O（w = 水）氢键相连。这些链通过双阳离子经由N-H⋯Ow和弱C-H⋯O氢键交联，从而形成三维超分子网络。三维 Hirshfeld 表面分析和二维指纹图谱表明，该结构以H⋯O/O⋯H和H⋯H接触为主。
