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Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO (1))copper(II)
In the crystal of the title complex, [Cu(C(7)H(6)NO(4)S)(2)(C(6)H(6)N(2)O)(2)(H(2)O)], the Cu(II) cation and the O atom of the coordinated water molecule reside on a twofold rotation axis. The Cu(II) ion is coordinated by two carboxylate O atoms of the two symmetry-related 4-sulfamoylbenzoate (SB)...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5778483/ https://www.ncbi.nlm.nih.gov/pubmed/29416889 http://dx.doi.org/10.1107/S2056989017017765 |
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author | Hökelek, Tuncer Yavuz, Vijdan Dal, Hakan Necefoğlu, Hacali |
author_facet | Hökelek, Tuncer Yavuz, Vijdan Dal, Hakan Necefoğlu, Hacali |
author_sort | Hökelek, Tuncer |
collection | PubMed |
description | In the crystal of the title complex, [Cu(C(7)H(6)NO(4)S)(2)(C(6)H(6)N(2)O)(2)(H(2)O)], the Cu(II) cation and the O atom of the coordinated water molecule reside on a twofold rotation axis. The Cu(II) ion is coordinated by two carboxylate O atoms of the two symmetry-related 4-sulfamoylbenzoate (SB) anions and by two N atoms of the two symmetry-related nicotinamide (NA) molecules at distances of 1.978 (2) and 2.025 (3) Å, respectively, forming a slightly distorted square-planar arrangement. The distorted square-pyramidal coordination environment is completed by the water O atom in the axial position at a distance of 2.147 (4) Å. In the crystal, the molecules are linked via O—H⋯O and N—H⋯O hydrogen bonds with R (2) (2)(8) and R (2) (2)(18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (42.2%), H⋯H (25.7%) and H⋯C/C⋯H (20.0%) interactions. |
format | Online Article Text |
id | pubmed-5778483 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57784832018-02-07 Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO (1))copper(II) Hökelek, Tuncer Yavuz, Vijdan Dal, Hakan Necefoğlu, Hacali Acta Crystallogr E Crystallogr Commun Research Communications In the crystal of the title complex, [Cu(C(7)H(6)NO(4)S)(2)(C(6)H(6)N(2)O)(2)(H(2)O)], the Cu(II) cation and the O atom of the coordinated water molecule reside on a twofold rotation axis. The Cu(II) ion is coordinated by two carboxylate O atoms of the two symmetry-related 4-sulfamoylbenzoate (SB) anions and by two N atoms of the two symmetry-related nicotinamide (NA) molecules at distances of 1.978 (2) and 2.025 (3) Å, respectively, forming a slightly distorted square-planar arrangement. The distorted square-pyramidal coordination environment is completed by the water O atom in the axial position at a distance of 2.147 (4) Å. In the crystal, the molecules are linked via O—H⋯O and N—H⋯O hydrogen bonds with R (2) (2)(8) and R (2) (2)(18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (42.2%), H⋯H (25.7%) and H⋯C/C⋯H (20.0%) interactions. International Union of Crystallography 2018-01-01 /pmc/articles/PMC5778483/ /pubmed/29416889 http://dx.doi.org/10.1107/S2056989017017765 Text en © Hökelek et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/ |
spellingShingle | Research Communications Hökelek, Tuncer Yavuz, Vijdan Dal, Hakan Necefoğlu, Hacali Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO (1))copper(II) |
title | Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO
(1))copper(II) |
title_full | Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO
(1))copper(II) |
title_fullStr | Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO
(1))copper(II) |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO
(1))copper(II) |
title_short | Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO
(1))copper(II) |
title_sort | crystal structure and hirshfeld surface analysis of aquabis(nicotinamide-κn)bis(4-sulfamoylbenzoato-κo
(1))copper(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5778483/ https://www.ncbi.nlm.nih.gov/pubmed/29416889 http://dx.doi.org/10.1107/S2056989017017765 |
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