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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]
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Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]

机译:一维配位聚合物阳离子-聚[[二氨基(烟酰胺-κN1)镍(II)]-μ-富马拉托-κ2O1:O4]的合成,晶体结构和Hirshfeld表面分析

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摘要

The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2]n. The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water mol­ecules in a distorted octa­hedral fashion. In the crystal, the fumarate dianions bridge the NiII cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the inter­molecular inter­actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯O/O⋯H (35.9%), H⋯H (31.7%) and C⋯C (10.4%) inter­actions.
机译:NiCl2与富马酸和烟酰胺在碱性溶液中的反应产生标题的聚合物配合物[Ni(C4H2O4)(C6H6N2O)2(H2O)2] n。 NiII阳离子位于反型中心,由富马酸二价阴离子的两个O原子,来自烟酰胺配体的两个N原子和两个水分子以八面体形式扭曲。在晶体中,富马酸二价阴离子桥接NiII阳离子,形成沿[101]方向传播的聚合物链。聚合物链进一步通过OH,O,NH和CH的氢键连接,形成三维超分子结构。使用Hirshfeld表面分析和二维指纹图分析晶体中存在的分子间相互作用,这表明对晶体堆积最重要的贡献来自H⋯O / O⋯H(35.9%),H⋯H(31.7 %)和C⋯C(10.4%)的相互作用。

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