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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...

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Autores principales: Maheswari, Palanisami Uma, Teat, Simon J., Roubeau, Olivier, Reedijk, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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