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Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2) O:O}bis[(nitrato-κ(2) O,O′)zinc]–acetonitrile–water (2/4/1)
The title compound, [Zn(2)(C(42)H(38)N(9)O(3))(2)(NO(3))(2)]·2CH(3)CN·0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn(II) complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent molecule and...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274916/ https://www.ncbi.nlm.nih.gov/pubmed/22346863 http://dx.doi.org/10.1107/S1600536811053451 |
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author | Maheswari, Palanisami Uma Teat, Simon J. Roubeau, Olivier Reedijk, Jan |
author_facet | Maheswari, Palanisami Uma Teat, Simon J. Roubeau, Olivier Reedijk, Jan |
author_sort | Maheswari, Palanisami Uma |
collection | PubMed |
description | The title compound, [Zn(2)(C(42)H(38)N(9)O(3))(2)(NO(3))(2)]·2CH(3)CN·0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn(II) complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent molecule and a quarter of a water molecule (located on a twofold axis with half-occupancy; H atoms were not located for this molecule). Each triazine-based multidentate ligand uses a phenolate group to bridge Zn(II) ions, generating a Zn(2)O(2) core. The Zn(II) ions are five-coordinate, with an additional long Zn—O contact [2.6465 (16) Å], and include a semi-bidentate nitrate ion and a N,N′,O-tridentate mode of the ligand in the coordination sphere. Non-coordinating pyridine groups form intramolecular O—H⋯N hydrogen bonds with phenol groups. As suggested by the short O⋯O donor–acceptor distances between the disordered water molecules and phenol O atoms, these groups also participate in hydrogen bonding. |
format | Online Article Text |
id | pubmed-3274916 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32749162012-02-15 Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2) O:O}bis[(nitrato-κ(2) O,O′)zinc]–acetonitrile–water (2/4/1) Maheswari, Palanisami Uma Teat, Simon J. Roubeau, Olivier Reedijk, Jan Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Zn(2)(C(42)H(38)N(9)O(3))(2)(NO(3))(2)]·2CH(3)CN·0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn(II) complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent molecule and a quarter of a water molecule (located on a twofold axis with half-occupancy; H atoms were not located for this molecule). Each triazine-based multidentate ligand uses a phenolate group to bridge Zn(II) ions, generating a Zn(2)O(2) core. The Zn(II) ions are five-coordinate, with an additional long Zn—O contact [2.6465 (16) Å], and include a semi-bidentate nitrate ion and a N,N′,O-tridentate mode of the ligand in the coordination sphere. Non-coordinating pyridine groups form intramolecular O—H⋯N hydrogen bonds with phenol groups. As suggested by the short O⋯O donor–acceptor distances between the disordered water molecules and phenol O atoms, these groups also participate in hydrogen bonding. International Union of Crystallography 2012-01-21 /pmc/articles/PMC3274916/ /pubmed/22346863 http://dx.doi.org/10.1107/S1600536811053451 Text en © Maheswari et al. 2012 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 Maheswari, Palanisami Uma Teat, Simon J. Roubeau, Olivier Reedijk, Jan Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2) O:O}bis[(nitrato-κ(2) O,O′)zinc]–acetonitrile–water (2/4/1) |
title | Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2)
O:O}bis[(nitrato-κ(2)
O,O′)zinc]–acetonitrile–water (2/4/1) |
title_full | Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2)
O:O}bis[(nitrato-κ(2)
O,O′)zinc]–acetonitrile–water (2/4/1) |
title_fullStr | Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2)
O:O}bis[(nitrato-κ(2)
O,O′)zinc]–acetonitrile–water (2/4/1) |
title_full_unstemmed | Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2)
O:O}bis[(nitrato-κ(2)
O,O′)zinc]–acetonitrile–water (2/4/1) |
title_short | Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ(2)
O:O}bis[(nitrato-κ(2)
O,O′)zinc]–acetonitrile–water (2/4/1) |
title_sort | bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κn)methyl]amino-κn]-4-methylphenolato-1:2κ(2)
o:o}bis[(nitrato-κ(2)
o,o′)zinc]–acetonitrile–water (2/4/1) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274916/ https://www.ncbi.nlm.nih.gov/pubmed/22346863 http://dx.doi.org/10.1107/S1600536811053451 |
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