Kansiz Sevgi, Qadir Adnan M, Dege Necmi, Yongxin Li, Saif Eiad
Department of Fundamental Sciences, Faculty of Engineering, Samsun University, 55420, Samsun, Turkey.
Department of Chemistry, College of Science, Salahaddin University, Erbil, 44001, Iraq.
Acta Crystallogr E Crystallogr Commun. 2021 Mar 19;77(Pt 4):412-415. doi: 10.1107/S2056989021002802. eCollection 2021 Apr 1.
The reaction of copper(II) sulfatepentahydrate with 2-nitro-benzoic acid and ,,','-tetra-methyl-ethylenedi-amine (TMEDA) in basic solution produces the complex bis-(2-nitro-benzoato-κ)(,,','-tetra-methyl-ethylenedi-amine-κ ,')copper(II), [Cu(CHNO)(CHN)] or [Cu(2-nitro-benzoate)(tmeda)]. Each carboxyl-ate group of the 2-nitro-benzoate ligand is coordinated by Cu atom in a monodentate fashion and two TMEDA ligand nitro-gen atoms are coordinate by the metal center, giving rise to a distorted square-planar coordination environment. In the crystal, metal complexes are linked by centrosymmetric C-H⋯O hydrogen bonds, forming ribbons a (10) ring motif. These ribbons are linked by further C-H⋯O hydrogen bonds, leading to two-dimensional hydrogen-bonded arrays parallel to the plane. Weak π-π stacking inter-actions provide additional stabilization of the crystal structure. Hirshfeld surface analysis, and two-dimensional fingerprint plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure. The major inter-actions of the complex are O⋯H/H⋯O (44.9%), H⋯H (34%) and C⋯H (14.5%).
五水合硫酸铜与2-硝基苯甲酸和N,N,N',N'-四甲基乙二胺（TMEDA）在碱性溶液中反应生成配合物双（2-硝基苯甲酸根-κO）（N,N,N',N'-四甲基乙二胺-κN,N'）铜（II），[Cu(C7H4NO4)(C6H16N2)]或[Cu(2-硝基苯甲酸酯)(tmeda)]。2-硝基苯甲酸酯配体的每个羧酸根基团以单齿方式与铜原子配位，两个TMEDA配体的氮原子与金属中心配位，形成扭曲的平面正方形配位环境。在晶体中，金属配合物通过中心对称的C-H⋯O氢键相连，形成具有(10)环 motif的带状结构。这些带状结构通过进一步的C-H⋯O氢键相连，形成平行于ab平面的二维氢键阵列。弱的π-π堆积相互作用为晶体结构提供了额外的稳定性。通过Hirshfeld表面分析和二维指纹图谱来验证超分子结构中不同分子间相互作用的贡献。该配合物的主要相互作用为O⋯H/H⋯O（44.9%）、H⋯H（34%）和C⋯H（14.5%）。
