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-1:2κ2O:O}bis[(nitrato-κ2O,O′)zinc]–acetonitrile–water (2/4/1)
The title compound, [Zn2(C42H38N9O3)2(NO3)2]·2CH3CN·0.5H2O, is a bis-phenolate-bridged dinuclear ZnII 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...
Main Authors: | , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2012-02-01
|
Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811053451 |
id |
doaj-303c065dccaa4e6181cf89acb497f019 |
---|---|
record_format |
Article |
spelling |
doaj-303c065dccaa4e6181cf89acb497f0192020-11-24T22:15:00ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-02-01682m194m19510.1107/S1600536811053451Bis{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-1:2κ2O:O}bis[(nitrato-κ2O,O′)zinc]–acetonitrile–water (2/4/1)Palanisami Uma MaheswariSimon J. TeatOlivier RoubeauJan ReedijkThe title compound, [Zn2(C42H38N9O3)2(NO3)2]·2CH3CN·0.5H2O, is a bis-phenolate-bridged dinuclear ZnII 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 ZnII ions, generating a Zn2O2 core. The ZnII 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. http://scripts.iucr.org/cgi-bin/paper?S1600536811053451 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Palanisami Uma Maheswari Simon J. Teat Olivier Roubeau Jan Reedijk |
spellingShingle |
Palanisami Uma Maheswari Simon J. Teat Olivier Roubeau Jan Reedijk 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-1:2κ2O:O}bis[(nitrato-κ2O,O′)zinc]–acetonitrile–water (2/4/1) Acta Crystallographica Section E |
author_facet |
Palanisami Uma Maheswari Simon J. Teat Olivier Roubeau Jan Reedijk |
author_sort |
Palanisami Uma Maheswari |
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-1:2κ2O:O}bis[(nitrato-κ2O,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-1:2κ2O:O}bis[(nitrato-κ2O,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-1:2κ2O:O}bis[(nitrato-κ2O,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-1:2κ2O:O}bis[(nitrato-κ2O,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-1:2κ2O:O}bis[(nitrato-κ2O,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-1:2κ2o:o}bis[(nitrato-κ2o,o′)zinc]–acetonitrile–water (2/4/1) |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2012-02-01 |
description |
The title compound, [Zn2(C42H38N9O3)2(NO3)2]·2CH3CN·0.5H2O, is a bis-phenolate-bridged dinuclear ZnII 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 ZnII ions, generating a Zn2O2 core. The ZnII 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. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536811053451 |
work_keys_str_mv |
AT palanisamiumamaheswari bisamp956246bis2hydroxy5methylphenylpyridin2ylmethylamino135triazin2ylpyridin2ylamp954nmethylaminoamp954n4methylphenolato12amp9542oobisnitratoamp9542ooamp8242zincamp8211acetonitrileamp8211water241 AT simonjteat bisamp956246bis2hydroxy5methylphenylpyridin2ylmethylamino135triazin2ylpyridin2ylamp954nmethylaminoamp954n4methylphenolato12amp9542oobisnitratoamp9542ooamp8242zincamp8211acetonitrileamp8211water241 AT olivierroubeau bisamp956246bis2hydroxy5methylphenylpyridin2ylmethylamino135triazin2ylpyridin2ylamp954nmethylaminoamp954n4methylphenolato12amp9542oobisnitratoamp9542ooamp8242zincamp8211acetonitrileamp8211water241 AT janreedijk bisamp956246bis2hydroxy5methylphenylpyridin2ylmethylamino135triazin2ylpyridin2ylamp954nmethylaminoamp954n4methylphenolato12amp9542oobisnitratoamp9542ooamp8242zincamp8211acetonitrileamp8211water241 |
_version_ |
1725796573207592960 |