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μ-乙酸根-水-μ-(5-溴-2-{1,3-双-[2-(5-溴-2-氧化苄基-亚氨基)-乙基]咪唑烷-2-基}苯酚根)甲烷合镍(II)甲醇溶剂合物一水合物

μ-Acetato-aqua-μ-(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.

作者信息

Khan Ahmed Raza, Tesema Yohannes, Butcher Ray J, Gultneh Yilma

机构信息

Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):m1381-2. doi: 10.1107/S1600536811035409. Epub 2011 Sep 14.

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.

摘要

标题化合物[Ni₂(C₂₇H₂₄Br₃N₄O₃)(CH₃CO₂)(CH₃OH)(H₂O)]·2CH₃OH·H₂O的晶体结构包含[L(OAc){(CH₃OH)Ni}{(H₂O)Ni}]分子{H₃L = 2-(5-溴-2-羟基苯基)-1,3-双-[4-(5-溴-2-羟基苯基)-3-氮杂丁-3-烯基]-1,3-咪唑啉}以及额外的水分子和两个甲醇溶剂分子。在这种情况下,两个Ni原子中的一个与一个水分子配位,另一个与一个甲醇分子配位。Ni - O和Ni - N的距离以及围绕金属原子的角度表明中心离子周围呈现出相当规则的八面体。Ni - O(酚)-Ni和Ni - O(乙酸根)-Ni的角度不相似[分别为95.26 (13)°和97.34 (13)°],这表明这种细微的溶剂交换在采用的构象上引起了显著差异。配位的甲醇配体与桥连乙酸根配体未配位的O原子形成分子内氢键,而配位的水分子与一个甲醇溶剂分子形成氢键。水溶剂分子与两个酚盐O原子都形成强氢键。剩余的甲醇溶剂分子也与这个溶剂水分子形成氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8928/3201549/be8199635e74/e-67-m1381-fig1.jpg

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