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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)...

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Autores principales: Hökelek, Tuncer, Yavuz, Vijdan, Dal, Hakan, Necefoğlu, Hacali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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