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
相关论文
共 50 条
  • [21] Tetrahydrated bis(ethylenediamine)copper(II) sulfate: Crystal structure, Raman spectrum and magnetic susceptibility
    Vakulka, Andrii
    Goreshnik, Evgeny
    Jagodic, Marko
    Jaglicic, Zvonko
    Trontelj, Zvonko
    JOURNAL OF MOLECULAR STRUCTURE, 2020, 1210
  • [22] Crystal structure and Hirshfeld surface analysis of pinaverium bromide dihydrate
    Chen, Dezhen
    Zhou, Wangting
    Wei, Yujing
    Zhuang, Chenghan
    He, Yazheng
    Li, Xiaoli
    Li, Kaibo
    Zhang, Zhaoxia
    Zhang, Guoqing
    POWDER DIFFRACTION, 2024,
  • [23] Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis(3-benzyloxy)-benzoate
    Kumar, H. Anil
    Selvanandan, S.
    Srinivasa, H. T.
    Venkateshappa, G.
    Palakshamurthy, B. S.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 : 686 - +
  • [24] Synethesis and Crystal Structure of Bi(ethylenediamine)copper Tetracyanonickelate(II)
    LUO Jun Hua ②\ WU Mao Xiang\ WANG Yan Ming\ GAO Dong Shou Li Ding\ CHENG Chang Zhang (Fujian Insitute of Research on the Structure of Matter
    结构化学, 2000, (03) : 187 - 190
  • [25] Synthesis and crystal structure of bi(ethylenediamine) copper tetracyanonickelate (II)
    Luo, JH
    Wu, MX
    Wang, YM
    Gao, DS
    Li, D
    Cheng, CZ
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2000, 19 (03) : 187 - 190
  • [26] Crystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato-bridged copper(II) complex: μ-oxalato-bis[(2,2’-bipyridine) hydrate copper(II) nitrate]
    Zina Boutobba
    Amani Direm
    Koray Sayin
    Brahim El Bali
    Mohammed Lachkar
    Nourredine Benali-Cherif
    Journal of the Iranian Chemical Society, 2020, 17 : 671 - 685
  • [27] Crystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato-bridged copper(II) complex: μ-oxalato-bis[(2,2'-bipyridine) hydrate copper(II) nitrate]
    Boutobba, Zina
    Direm, Amani
    Sayin, Koray
    El Bali, Brahim
    Lachkar, Mohammed
    Benali-Cherif, Nourredine
    JOURNAL OF THE IRANIAN CHEMICAL SOCIETY, 2020, 17 (03) : 671 - 685
  • [28] SYNTHESIS, CRYSTAL STRUCTURE, THERMAL STABILITY AND HIRSHFELD SURFACE ANALYSIS OF AZAMETALLOCROWN COPPER(II) COMPOUNDS WITH 4-IODOPYRAZOLE
    Vynohradov, Oleksandr S.
    Davydenko, Yuliya M.
    Pavlenko, Vadim O.
    Fesych, Igor V.
    Fritsky, Igor O.
    Naumova, Dina D.
    Shova, Sergiu
    JOURNAL OF CHEMISTRY AND TECHNOLOGIES, 2024, 32 (03): : 554 - 569
  • [29] Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl benzoate
    Sheshadri, S. N.
    Kumar, C. S. Chidan
    Naveen, S.
    Veeraiah, M. K.
    Reddy, Kakarla Raghava
    Warad, Ismail
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1719 - +
  • [30] Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis
    Ali, Karwan Omer
    Mohamad, Hikmat Ali
    Gerber, Thomas
    Hosten, Eric
    ACTA CHIMICA SLOVENICA, 2022, 69 (04) : 905 - 912