[4-(2-氨基乙基)吗啉-κ2 N,N′]二溴镉(II):合成、晶体结构和 Hirshfeld 表面分析

B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar
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引用次数: 0

摘要

标题化合物[CdBr2(C6H14N2O)]是由 4-(2-氨基乙基)吗啉和四水溴化镉(II)在 303 K 下络合合成的。它结晶成一个中心对称的二聚体,不对称单元中有一个镉原子、两个溴原子和一个 N,N′-二价 4-(2-氨基乙基)吗啉配体。金属原子是六配位的,具有扭曲的八面体几何形状。在晶体中,O...Cd 相互作用将二聚体连接成聚合双链,分子间的 C-H...O 氢键形成 R 2 2(6) 环图案。此外,C-H...Br 和 N-H...Br氢键将各组分连接成一个三维网络。由于 N-H...Br 氢键比 C-H...Br 相互作用短,它们对堆积的影响更大。Hirshfeld 表面分析表明,H...H(46.1%)和 Br...H/H...Br (38.9%)的相互作用对堆积的影响最大,而 O... H/H...Br 的相互作用对堆积的影响较小。...H/H...O(4.7%)、Br...Cd/Cd...Br(4.4%)、O...Cd/Cd...O(3.5%)、Br...Br(1.1%)、Cd...H/H...Cd(0.9%)、Br...O/O...Br(0.3%)和 O...N/N...O (0.1%)接触的贡献较小。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
[4-(2-Aminoethyl)morpholine-κ2 N,N′]dibromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis
The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N′-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O...Cd interactions link the dimers into a polymeric double chain and intermolecular C—H...O hydrogen bonds form R 2 2(6) ring motifs. Further C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network. As the N—H...Br hydrogen bonds are shorter than the C—H...Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H...H (46.1%) and Br...H/H...Br (38.9%) interactions with smaller contributions from the O...H/H...O (4.7%), Br...Cd/Cd...Br (4.4%), O...Cd/Cd...O (3.5%), Br...Br (1.1%), Cd...H/H...Cd (0.9%), Br...O/O...Br (0.3%) and O...N/N...O (0.1%) contacts.
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