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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969605 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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