Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate

被引:2
作者
Qadir, Adnan M. [1 ]
Kansiz, Sevgi [2 ]
Rosair, Georgina M. [3 ]
Dege, Necmi [2 ]
Iskenderov, Turganbay S. [4 ]
机构
[1] Salahaddin Univ, Coll Sci, Dept Chem, Erbil, Iraq
[2] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Kurupelit, Samsun, Turkey
[3] Heriot Watt Univ, Sch Engn & Phys Sci, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland
[4] Taras Shevchenko Natl Univ Kyiv, Dept Chem, 64 Vladimirska Str, UA-01601 Kiev, Ukraine
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2020年 / 76卷
基金
英国工程与自然科学研究理事会;
关键词
crystal structure; copper(II); ethylenediamine; 2-nitrobenzoate; Hirshfeld surface; SPECTROSCOPY; ACID;
D O I
10.1107/S2056989019016669
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, diaquabis(ethylenediamine-kappa N-2,N')copper(II) bis(2-nitrobenzoate), [Cu(C2H8N2)(2)(H2O)(2)](C7H4NO4)(2), two diaquabis(ethylenediamine)copper(II) cations and four nitrobenzoate anions are present in the asymmetric unit. All four anions are 'whole-molecule' disordered over two sets of sites. The major components have refined occupancies of 0.572 (13), 0.591 (9), 0.601 (9) and 0.794 (10). The Cu-II ions exhibit slightly distorted octahedral geometries. In the crystal, cations and anions are connected to each other via N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds, forming a two-dimensional network parallel to (200). The intermolecular contacts in the crystal were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are O center dot center dot center dot H/H center dot center dot center dot O (42.9%), followed by H center dot center dot center dot H (35.7%), C center dot center dot center dot H/H center dot center dot center dot C (14.2%), C center dot center dot center dot C (2.9%), C center dot center dot center dot O/O center dot center dot center dot C (2.2%), N center dot center dot center dot H/H center dot center dot center dot N (0.9%) and N center dot center dot center dot O/O center dot center dot center dot N (0.3%).
引用
收藏
页码:111 / +
页数:20
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