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)

Palanisami Uma Maheswari,Simon J Teat,Jan Reedijk,Olivier Roubeau

doi:10.1107/s1600536811053451

Abstract

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.

Highlights

The asymmetric unit comprises half the zinc complex, one acetonitrile solvent molecule and a quarter of a water molecule
As suggested by the short O O donor–acceptor distances between the disordered water molecules and phenol O atoms, these groups participate in hydrogen bonding
The authors are indebted to Professor Patrick Gamez (ICREA, Barcelona) for many useful suggestions in the early stages of this research

Summary

Structure Reports

Bis{l-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}1,3,5-triazin-2-yl)[(pyridin-2-yl-jN)methyl]amino-jN]-4-methylphenolato1:2j2O:O}bis[(nitrato-j2O,O0 )zinc]– Leiden Institute of Chemistry, Leiden University, PO Box 9502, 2300 RA, Leiden, The Netherlands, bAdvanced Light Source, Lawrence Berkeley, National Laboratory, Berkeley, California 94720, USA, cInstituto de Ciencia de Materiales de Aragon, CSIC and Universidad de Zaragoza, Plaza San Francisco s/n, 50009 Zaragoza, Spain, and d Department of Chemistry, King Saud University, PO Box 2455, Riyadh, 11451, Saudi Arabia Key indicators: single-crystal synchrotron study; T = 150 K; mean (C–C) = 0.003 Å; H-atom completeness 99%; disorder in solvent or counterion; R factor = 0.039; wR factor = 0.108; data-to-parameter ratio = 22.4.

Crystal data

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