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

In the title compound, di­aqua­bis­(ethyl­enedi­amine-κ(2) N,N′)copper(II) bis­(2-nitro­benzoate), [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(7)H(4)NO(4))(2), two di­aqua­bis­(ethyl­enedi­amine)­copper(II) cations and four nitro­benzoate anions are present in the asymmetric unit. All four anions are ‘whole-m...

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Autores principales: Qadir, Adnan M., Kansiz, Sevgi, Rosair, Georgina M., Dege, Necmi, Iskenderov, Turganbay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944094/
https://www.ncbi.nlm.nih.gov/pubmed/31921462
http://dx.doi.org/10.1107/S2056989019016669
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author Qadir, Adnan M.
Kansiz, Sevgi
Rosair, Georgina M.
Dege, Necmi
Iskenderov, Turganbay S.
author_facet Qadir, Adnan M.
Kansiz, Sevgi
Rosair, Georgina M.
Dege, Necmi
Iskenderov, Turganbay S.
author_sort Qadir, Adnan M.
collection PubMed
description In the title compound, di­aqua­bis­(ethyl­enedi­amine-κ(2) N,N′)copper(II) bis­(2-nitro­benzoate), [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(7)H(4)NO(4))(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⋯O and O—H⋯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⋯H/H⋯O (42.9%), followed by H⋯H (35.7%), C⋯H/H⋯C (14.2%), C⋯C (2.9%), C⋯O/O⋯C (2.2%), N⋯H/H⋯N (0.9%) and N⋯O/O⋯N (0.3%).
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spelling pubmed-69440942020-01-09 Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate Qadir, Adnan M. Kansiz, Sevgi Rosair, Georgina M. Dege, Necmi Iskenderov, Turganbay S. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, di­aqua­bis­(ethyl­enedi­amine-κ(2) N,N′)copper(II) bis­(2-nitro­benzoate), [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(7)H(4)NO(4))(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⋯O and O—H⋯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⋯H/H⋯O (42.9%), followed by H⋯H (35.7%), C⋯H/H⋯C (14.2%), C⋯C (2.9%), C⋯O/O⋯C (2.2%), N⋯H/H⋯N (0.9%) and N⋯O/O⋯N (0.3%). International Union of Crystallography 2020-01-01 /pmc/articles/PMC6944094/ /pubmed/31921462 http://dx.doi.org/10.1107/S2056989019016669 Text en © Qadir et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Qadir, Adnan M.
Kansiz, Sevgi
Rosair, Georgina M.
Dege, Necmi
Iskenderov, Turganbay S.
Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate
title Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate
title_full Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate
title_fullStr Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate
title_short Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non-coordinated benzoate
title_sort crystal structure and hirshfeld surface analysis of a copper(ii) complex with ethyl­enedi­amine and non-coordinated benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944094/
https://www.ncbi.nlm.nih.gov/pubmed/31921462
http://dx.doi.org/10.1107/S2056989019016669
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