?-Acetato-aqua-?-(5-bromo-2-{1,3-bis-[2-(5-bromo-2-oxidobenzyl-idene-amino)-eth-yl]imidazolidin-2-yl}phenolato)methano-ldinickel(II) methanol disolvate monohydrate.

ABSTRACT: The crystal structure of the title compound, [Ni(2)(C(27)H(24)Br(3)N(4)O(3))(CH(3)CO(2))(CH(3)OH)(H(2)O)]·2CH(3)OH·H(2)O contains [L(OAc){(CH(3)OH)Ni}{(H(2)O)Ni}] mol-ecules {H(3)L = 2-(5-bromo-2-hy-droxy-phen-yl)-1,3-bis-[4-(5-bromo-2-hy-droxy-phen-yl)-3-aza-but-3-en-yl]-1,3-imidazolidine} with additional water and two methanol solvent mol-ecules. In this instance, one of the two Ni atoms is coordinated to a water and the other to a methanol mol-ecule. The Ni-O and Ni-N distances, as well as the angles about the metal atoms, show quite regular octa-hedra around the central ions. The Ni-O(phenol)-Ni and Ni-O(acetate)-Ni angles are not similar [95.26?(13) and 97.34?(13)°, respectively], indicating that this subtle solvate exchange induces significant differences in the conformation adopted. The coordinated methanol ligand is involved in an intra-molecular hydrogen bond to the uncoordinated O atom of the bridging acetate ligand, while the coordinated water mol-ecule forms a hydrogen bond with the one of the methanol solvent mol-ecules. The water solvent mol-ecule forms strong hydrogen bonds to both phenolate O atoms. The remaining methanol solvent mol-ecule also forms a hydrogen bond with this solvent water mol-ecule.

SUBMITTER: Khan AR 

PROVIDER: S-EPMC3201549 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature