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)

• Main Authors: Palanisami Uma Maheswari, Simon J. Teat, Olivier Roubeau, Jan Reedijk
• 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
• ISSN: 1600-5368

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.