Zhu Fanghua, Qin Yuancheng, Lei Jiehong, Zhang Lin, Yin Qiang
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):m769-70. doi: 10.1107/S1600536810021148.
The title compound, [Ti(C(5)H(5))(2)(C(16)H(11)NO(5))]·H(2)O, exhibits a titanocene unit coordinated to a styrene-substituted pyridine-2,6-dicarboxyl-ate ligand synthesized for use as a monomer for polymerization or copolymerization yielding metallocene-containing polymers. The compound crystallized as a monohydrate and the solvent water mol-ecule forms strong O-H⋯O hydrogen bonds with the carboxyl-ate O atoms of the Ti complex, which play an important role in the connection of adjacent mol-ecules. In addition, weak inter-molecular C-H⋯O hydrogen bonds also contribute to the crystal packing arrangement.
标题化合物[Ti(C₅H₅)₂(C₁₆H₁₁NO₅)]·H₂O表现出一个二茂钛单元与一个苯乙烯取代的吡啶 - 2,6 - 二羧酸酯配体配位，该配体被合成用作聚合或共聚的单体以生成含茂金属的聚合物。该化合物以一水合物形式结晶，溶剂水分子与钛配合物的羧酸根O原子形成强O - H⋯O氢键，这在相邻分子的连接中起重要作用。此外，弱的分子间C - H⋯O氢键也有助于晶体堆积排列。
