Jacob Jinsa Mary, Prathapachandra Kurup M R, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1089. doi: 10.1107/S1600536812031777. Epub 2012 Jul 18.
The asymmetric unit of the title compound, [Zn(C(15)H(12)BrN(3)O(2)S)(C(12)H(12)N(2))]·C(3)H(7)NO, contains two independent mol-ecules with a similar structure. The doubly deprotonated Schiff base ligand O,N,S-chelates to the metal atom, and the three coordinating atoms along with one N atom of the substituted 2,2'-bipyridine ligand constitute the square plane of the distorted square pyramid surrounding the metal atom. The apical site is occupied by the second N atom of the substituted 2,2'-bipyridine. The secondary amine group of the Schiff base dianion forms a hydrogen bond to the O atom of the dimethyl-formamide solvent. In the crystal, the phenyl ring of one of the two Schiff base anions is disordered over two positions in a 1:1 ratio. The crystal studied is a racemic twin.
标题化合物[Zn(C₁₅H₁₂BrN₃O₂S)(C₁₂H₁₂N₂)]·C₃H₇NO的不对称单元包含两个结构相似的独立分子。双去质子化的席夫碱配体通过O、N、S与金属原子螯合，三个配位原子以及取代的2,2'-联吡啶配体的一个N原子构成围绕金属原子的扭曲四方锥的正方形平面。顶端位置由取代的2,2'-联吡啶的第二个N原子占据。席夫碱二价阴离子的仲胺基团与二甲基甲酰胺溶剂的O原子形成氢键。在晶体中，两个席夫碱阴离子之一的苯环在两个位置上以1:1的比例无序排列。所研究的晶体是一个外消旋孪晶。
