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Aquabis(isonicotinamide-κN (1))bis(4-methylbenzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methylbenzoate (PMB) anions, two isonicotinamide (INA) ligands and one water molecule in a distorted octahedral CdN(2)O(4) geometry. One of PMB ions acts...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984084/ https://www.ncbi.nlm.nih.gov/pubmed/21580498 http://dx.doi.org/10.1107/S1600536810008366 |
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author | Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Süzen, Yasemin Hökelek, Tuncer |
author_facet | Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Süzen, Yasemin Hökelek, Tuncer |
author_sort | Necefoğlu, Hacali |
collection | PubMed |
description | In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methylbenzoate (PMB) anions, two isonicotinamide (INA) ligands and one water molecule in a distorted octahedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H⋯O hydrogen bond links the uncoordinated water molecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π interactions involving the pyridine rings also occur in the crystal structure. |
format | Text |
id | pubmed-2984084 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29840842010-12-30 Aquabis(isonicotinamide-κN (1))bis(4-methylbenzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Süzen, Yasemin Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methylbenzoate (PMB) anions, two isonicotinamide (INA) ligands and one water molecule in a distorted octahedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H⋯O hydrogen bond links the uncoordinated water molecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a supramolecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π interactions involving the pyridine rings also occur in the crystal structure. International Union of Crystallography 2010-03-13 /pmc/articles/PMC2984084/ /pubmed/21580498 http://dx.doi.org/10.1107/S1600536810008366 Text en © Necefoğlu et al. 2010 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 Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Süzen, Yasemin Hökelek, Tuncer Aquabis(isonicotinamide-κN (1))bis(4-methylbenzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate |
title | Aquabis(isonicotinamide-κN
(1))bis(4-methylbenzoato)-κO;κ(2)
O,O′-cadmium(II) monohydrate |
title_full | Aquabis(isonicotinamide-κN
(1))bis(4-methylbenzoato)-κO;κ(2)
O,O′-cadmium(II) monohydrate |
title_fullStr | Aquabis(isonicotinamide-κN
(1))bis(4-methylbenzoato)-κO;κ(2)
O,O′-cadmium(II) monohydrate |
title_full_unstemmed | Aquabis(isonicotinamide-κN
(1))bis(4-methylbenzoato)-κO;κ(2)
O,O′-cadmium(II) monohydrate |
title_short | Aquabis(isonicotinamide-κN
(1))bis(4-methylbenzoato)-κO;κ(2)
O,O′-cadmium(II) monohydrate |
title_sort | aquabis(isonicotinamide-κn
(1))bis(4-methylbenzoato)-κo;κ(2)
o,o′-cadmium(ii) monohydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984084/ https://www.ncbi.nlm.nih.gov/pubmed/21580498 http://dx.doi.org/10.1107/S1600536810008366 |
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