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2,2'-{(1,1')-[乙烷-1,2-二基双(氮杂亚苯基)]双(亚甲基)}双-[4-(三氟甲氧基)苯酚]铜(II)对苯二酚半溶剂化物的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 2,2'-{(1,1')-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[4-(tri-fluoro-meth-oxy)phenol]copper(II) hydro-quinone hemisolvate.

作者信息

Kansiz Sevgi, Meral Seher, Dege Necmi, Agar Aysen Alaman, Fritsky Igor O

机构信息

Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, Turkey.

Boyabat Vocational School, Sinop University, 57200 Sinop, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Oct 29;75(Pt 11):1729-1733. doi: 10.1107/S2056989019014294. eCollection 2019 Nov 1.

Abstract

In the title com-plex, [Cu(CHFNO)]·0.5CHO, the Cu ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetra-dentate open-chain Schiff base ligand 6,6'-{(1,1')-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[2-(tri-fluoro-meth-oxy)phenol]. The crystal packing is stabilized by intra-molecular O-H⋯O and inter-molecular C-H⋯F, C-H⋯O and C-H⋯π hydrogen bonds. In addition, weak π-π inter-actions form a three-dimensional structure. Hirshfeld surface analysis and two-dimensional fingerprint plots were performed and created to analyze the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from F⋯H/H⋯F (25.7%), H⋯H (23.5%) and C⋯H/H⋯C (12.6%) inter-actions.

摘要

在标题配合物[Cu(CHFNO)]·0.5CHO中,铜离子具有平面正方形配位几何构型,由四齿开链席夫碱配体6,6'-{(1,1')-[乙烷-1,2-二亚基双(氮亚基)]双(亚甲基)}双[2-(三氟甲氧基)苯酚]的两个氮原子和两个氧原子配位。晶体堆积通过分子内O-H⋯O和分子间C-H⋯F、C-H⋯O及C-H⋯π氢键得以稳定。此外,弱π-π相互作用形成三维结构。进行并创建了 Hirshfeld 表面分析和二维指纹图谱,以分析晶体中存在的分子间相互作用,结果表明,对晶体堆积贡献最大的是F⋯H/H⋯F(25.7%)、H⋯H(23.5%)和C⋯H/H⋯C(12.6%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/779a/6829737/dc953b9e54ba/e-75-01729-fig1.jpg

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