[ZnBr(CHNO)(OH)]·2CHO的合成与晶体结构

Scheel Rebecca, Brieger Lukas, Louven Kathrin, Strohmann Carsten

Inorganic Chemistry, TU Dortmund University, Otto-Hahn Str.6, 44227 Dortmund, Germany.

Acta Crystallogr E Crystallogr Commun. 2020 Jun 2;76(Pt 7):998-1002. doi: 10.1107/S2056989020007100. eCollection 2020 Jul 1.

The complete mol-ecule of the hexa-metallic title complex, namely, tetra-bromido-tetra-μ-hydroxido-hexa-kis-[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexa-zinc(II) acetone disolvate, [ZnBr(CHNO)(OH)]·2CHO, is generated by a crystallographic centre of symmetry. Two of the unique zinc atoms adopt distorted ZnONBr tetra-hedral coordination geometries and the other adopts a ZnON tetra-hedral arrangement. Both unique alkoxide ligands are ,-chelating and both hydroxide ions are μ bridging. The crystal structure displays an O-H⋯O hydrogen bond between a μ-OH group and an acetone solvent mol-ecule. The Hirshfeld surface has been calculated and is described.

六金属标题配合物，即四溴化-四-μ-羟基-六-双-[μ-2-甲基-3-(吡咯烷-1-基)丙-2-醇根]六锌(II)丙酮二溶剂合物[ZnBr(CHNO)(OH)]·2CHO的完整分子由一个晶体学对称中心产生。两个独特的锌原子采用扭曲的ZnONBr四面体配位几何构型，另一个采用ZnON四面体排列。两个独特的醇盐配体均为螯合，且两个氢氧根离子均为μ桥连。晶体结构显示一个μ-OH基团与一个丙酮溶剂分子之间存在O-H⋯O氢键。已计算并描述了Hirshfeld表面。