4-甲酰基-N,N-二甲基苯胺溴化物与四溴甲烷超分子聚集体的晶体结构和 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of a supra-molecular aggregate of 4-formyl-,-di-methyl-anilinium bromide with tetra-bromomethane.
作者信息
Gurbanov Atash V, Hökelek Tuncer, Mammadova Gunay Z, Hasanov Khudayar I, Javadzade Tahir A, Belay Alebel N
机构信息
Excellence Center, Baku State University, Z. Khalilov Str. 23, AZ 1148 Baku, Azerbaijan.
Hacettepe University, Department of Physics, 06800 Beytepe-Ankara, Türkiye.
出版信息
Acta Crystallogr E Crystallogr Commun. 2025 Aug 7;81(Pt 9):806-810. doi: 10.1107/S2056989025006929. eCollection 2025 Sep 1.
The title compound, CHNO·Br·CBr, consists of one 4-formyl-,-di-methyl-benzenaminium bromide and a tetra-bromo-methane mol-ecule. In the crystal, the bromide ions link 4-formyl-,-di-methyl-benzenaminium moieties through inter-molecular C-H⋯Br and N-H⋯Br hydrogen bonds, while inter-molecular C-H⋯O hydrogen bonds link 4-formyl-,-di-methyl-benzenaminium cations, enclosing (18) ring motifs, into a di-periodic network structure. The tetra-bromo-methane mol-ecules fill the spaces between the layers. Neither π-π nor C-H⋯π(ring) inter-actions are observed. A Hirshfeld surface analysis of the crystal structure indicates that the most abundant contacts contributing to the crystal packing are from H⋯Br/Br⋯H (56.0%), Br⋯Br (12.1%), H⋯O/O⋯H (9.7%) and H⋯H (9.5%) inter-actions.
标题化合物CHNO·Br·CBr由一个4-甲酰基-，-二甲基苯铵溴化物和一个四溴甲烷分子组成。在晶体中，溴离子通过分子间C-H⋯Br和N-H⋯Br氢键连接4-甲酰基-，-二甲基苯铵部分，而分子间C-H⋯O氢键将4-甲酰基-，-二甲基苯铵阳离子连接成包含（18）环基序的双周期网络结构。四溴甲烷分子填充在层间空间。未观察到π-π相互作用或C-H⋯π（环）相互作用。晶体结构的 Hirshfeld 表面分析表明，对晶体堆积贡献最大的接触来自H⋯Br/Br⋯H（56.0%）、Br⋯Br（12.1%）、H⋯O/O⋯H（9.7%）和H⋯H（9.5%）相互作用。
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