Assey Gervas, Butcher Ray J, Gultneh Yilma
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1197-8. doi: 10.1107/S160053681103090X. Epub 2011 Aug 6.
The complex mol-ecule of the title compound, [Cu(3)Br(C(22)H(28)N(4)O(2))(2)]Br·2C(3)H(7)NO, contains three copper atoms, two of which are five-coordinate within a square-pyramidal environment and linked by a bridging Br atom occupying the apical position in each square pyramid. The remaining Cu atom is four-coordinate but with considerable tetra-hedral disortion [the dihedral angle between the two chelate planes is 69.21 (7)°]. There are two mol-ecules of dimethyl-formamide (DMF) present as solvent mol-ecules, one of which is disordered over two equivalent conformations with occupancies of 0.603 (5) and 0.397 (5). The amine H atoms are involved in both inter- and intra-molecular hydrogen-bonding inter-actions with the Br and O atoms of the cation, as well as with the O atom of the ordered DMF mol-ecule.
标题化合物[Cu₃Br(C₂₂H₂₈N₄O₂)₂]Br·2C₃H₇NO的复杂分子包含三个铜原子,其中两个在四方锥环境中为五配位,并通过一个占据每个四方锥顶端位置的桥连Br原子相连。其余的Cu原子为四配位,但具有相当大的四面体畸变[两个螯合平面之间的二面角为69.21 (7)°]。有两个作为溶剂分子的二甲基甲酰胺(DMF)分子,其中一个在两个等效构象上无序,占有率分别为0.603 (5)和0.397 (5)。胺H原子与阳离子的Br和O原子以及有序DMF分子的O原子参与分子间和分子内的氢键相互作用。