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Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate

In the title Ni(II) complex, [Ni(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxyl­ate groups of two 2,4,6-tri­methyl­benzoate (TMB) ligands [Ni—O = 2.0438 (12) Å]...

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Autores principales: Hökelek, Tuncer, Sertkaya, Gizem, Ay, Ezgi, Özkaya, Safiye, Necefoğlu, Hacali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598856/
https://www.ncbi.nlm.nih.gov/pubmed/28932444
http://dx.doi.org/10.1107/S205698901701060X
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author Hökelek, Tuncer
Sertkaya, Gizem
Ay, Ezgi
Özkaya, Safiye
Necefoğlu, Hacali
author_facet Hökelek, Tuncer
Sertkaya, Gizem
Ay, Ezgi
Özkaya, Safiye
Necefoğlu, Hacali
author_sort Hökelek, Tuncer
collection PubMed
description In the title Ni(II) complex, [Ni(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxyl­ate groups of two 2,4,6-tri­methyl­benzoate (TMB) ligands [Ni—O = 2.0438 (12) Å], two N atoms from the pyridyl groups of two isonicotinamide (INA) ligands [Ni—N = 2.1506 (15) Å] and two water mol­ecules [Ni—O = 2.0438 (12) Å] in a slightly distorted octa­hedral geometry. The coordinating water mol­ecules are hydrogen bonded to the non-coordinating carboxyl­ate O atom of the TMB ligand [O⋯O = 2.593 (3) Å], enclosing an S(6) hydrogen-bonding motif. Two solvent water mol­ecules are also present in the formula unit. In the crystal, a network of inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the complexes into a three-dimensional array. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (59.8%), O⋯H/H⋯O (20.2%) and C⋯H/H⋯C (13.7%) inter­actions.
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spelling pubmed-55988562017-09-20 Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate Hökelek, Tuncer Sertkaya, Gizem Ay, Ezgi Özkaya, Safiye Necefoğlu, Hacali Acta Crystallogr E Crystallogr Commun Research Communications In the title Ni(II) complex, [Ni(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxyl­ate groups of two 2,4,6-tri­methyl­benzoate (TMB) ligands [Ni—O = 2.0438 (12) Å], two N atoms from the pyridyl groups of two isonicotinamide (INA) ligands [Ni—N = 2.1506 (15) Å] and two water mol­ecules [Ni—O = 2.0438 (12) Å] in a slightly distorted octa­hedral geometry. The coordinating water mol­ecules are hydrogen bonded to the non-coordinating carboxyl­ate O atom of the TMB ligand [O⋯O = 2.593 (3) Å], enclosing an S(6) hydrogen-bonding motif. Two solvent water mol­ecules are also present in the formula unit. In the crystal, a network of inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the complexes into a three-dimensional array. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (59.8%), O⋯H/H⋯O (20.2%) and C⋯H/H⋯C (13.7%) inter­actions. International Union of Crystallography 2017-07-21 /pmc/articles/PMC5598856/ /pubmed/28932444 http://dx.doi.org/10.1107/S205698901701060X Text en © Hökelek et al. 2017 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
Sertkaya, Gizem
Ay, Ezgi
Özkaya, Safiye
Necefoğlu, Hacali
Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate
title Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate
title_full Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate
title_fullStr Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate
title_short Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO (1))nickel(II) dihydrate
title_sort crystal structure and hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κn)bis­(2,4,6-tri­methyl­benzoato-κo (1))nickel(ii) dihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598856/
https://www.ncbi.nlm.nih.gov/pubmed/28932444
http://dx.doi.org/10.1107/S205698901701060X
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