Centore Roberto, Ahmadi Mehdi, Peluso Andrea
Dipartimento di Scienze Chimiche, Università degli Studi di Napoli 'Federico II', Complesso di Monte S. Angelo, Via Cinthia, 80126 Napoli, Italy.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):m362-3. doi: 10.1107/S1600536813014669. eCollection 2013.
In the title complex, [U(C17H14BrN3O2S)O2(C2H5OH)], the U(VI) cation has a distorted penta-gonal-bipyramidal environment with the penta-gonal plane defined by two N and two O atoms of the tetra-dentate Schiff base ligand and the O atom of the ethanol mol-ecule. Two oxide O atoms occupy the axial positions. The azomethine C=N group and the Br atom are disordered over two positions in a 0.8356 (18):0.1644 (18) ratio. The ethyl-thiolyl group is disordered over three conformations in a 0.8356 (18):0.085 (6):0.079 (6) ratio, and the ethanol ligand is also disordered over three orientations in a 0.470 (16):0.277 (19):0.253 (18) ratio. In the crystal, mol-ecules form centrosymmetric dimers through hydrogen bonding between ethanol O-H donors and phenolate O-atom acceptors. Weak C-H⋯O inter-actions consolidate the crystal packing.
在标题配合物[U(C₁₇H₁₄BrN₃O₂S)O₂(C₂H₅OH)]中，U(VI)阳离子具有扭曲的五角双锥环境，五角平面由四齿席夫碱配体的两个N原子、两个O原子以及乙醇分子的O原子确定。两个氧化物O原子占据轴向位置。偶氮甲碱C=N基团和Br原子在两个位置上无序分布，比例为0.8356 (18):0.1644 (18)。乙硫基在三种构象上无序分布，比例为0.8356 (18):0.085 (6):0.079 (6)，乙醇配体也在三种取向上无序分布，比例为0.470 (16):0.277 (19):0.253 (18)。在晶体中，分子通过乙醇O-H供体与酚盐O原子受体之间的氢键形成中心对称二聚体。弱的C-H⋯O相互作用巩固了晶体堆积。
