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Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)

The mol­ecule of the title Zn(II) complex, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethyl­amino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water mol­ecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate liga...

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Autores principales: Hökelek, Tuncer, Dal, Hakan, Tercan, Barış, Aybirdi, Özgür, Necefoğlu, Hacali
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969605/
https://www.ncbi.nlm.nih.gov/pubmed/21583016
http://dx.doi.org/10.1107/S1600536809017620
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author Hökelek, Tuncer
Dal, Hakan
Tercan, Barış
Aybirdi, Özgür
Necefoğlu, Hacali
author_facet Hökelek, Tuncer
Dal, Hakan
Tercan, Barış
Aybirdi, Özgür
Necefoğlu, Hacali
author_sort Hökelek, Tuncer
collection PubMed
description The mol­ecule of the title Zn(II) complex, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethyl­amino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water mol­ecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octa­hedral coordination is completed by the N atom of the INA ligand and the O atom of the water mol­ecule in the axial positions. Intra­molecular C—H⋯O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87 (16) and 2.2 (2)°, while the two benzene rings are oriented at a dihedral angle of 65.13 (8)°. The dihedral angle between the benzene and pyridine rings are 11.47 (7) and 74.83 (8)°, respectively. In the crystal structure, inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. π–π contacts between the pyridine and benzene rings and between the benzene rings [centroid–centroid distances = 3.695 (1) and 3.841 (1) Å, respectively] further stabilize the structure. Weak inter­molecular C—H⋯π inter­actions are also present.
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spelling pubmed-29696052010-12-30 Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II) Hökelek, Tuncer Dal, Hakan Tercan, Barış Aybirdi, Özgür Necefoğlu, Hacali Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The mol­ecule of the title Zn(II) complex, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethyl­amino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water mol­ecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octa­hedral coordination is completed by the N atom of the INA ligand and the O atom of the water mol­ecule in the axial positions. Intra­molecular C—H⋯O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87 (16) and 2.2 (2)°, while the two benzene rings are oriented at a dihedral angle of 65.13 (8)°. The dihedral angle between the benzene and pyridine rings are 11.47 (7) and 74.83 (8)°, respectively. In the crystal structure, inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. π–π contacts between the pyridine and benzene rings and between the benzene rings [centroid–centroid distances = 3.695 (1) and 3.841 (1) Å, respectively] further stabilize the structure. Weak inter­molecular C—H⋯π inter­actions are also present. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969605/ /pubmed/21583016 http://dx.doi.org/10.1107/S1600536809017620 Text en © Hökelek et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Hökelek, Tuncer
Dal, Hakan
Tercan, Barış
Aybirdi, Özgür
Necefoğlu, Hacali
Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)
title Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)
title_full Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)
title_fullStr Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)
title_full_unstemmed Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)
title_short Diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(II)
title_sort diaqua­bis[4-(dimethyl­amino)benzoato](isonicotinamide)zinc(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969605/
https://www.ncbi.nlm.nih.gov/pubmed/21583016
http://dx.doi.org/10.1107/S1600536809017620
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