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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2020
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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%). |
format | Online Article Text |
id | pubmed-6944094 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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