Li Zhao, Nie Wanli, Borzov Maxim V
Key Laboratory of Synthetic and Natural Chemistry of the Ministry of Education, College of Chemistry and Material Science, the North-West University of Xi'an, Taibai Bei Avenue 229, Xi'an 710069, Shaanxi Province, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m590-1. doi: 10.1107/S1600536811013183. Epub 2011 Apr 13.
The title compound, [[Ti(C(2)H(10)N)(2)(C(11)H(10)N(3))(2)] or Ti(C(11)H(10)N(3))(2)(NEt(2))(2)], was prepared by direct reaction of 2-(N-phenyl-methyl-imino-meth-yl)-1H-imidazole and [Ti(NEt(2))(4)]. The Ti(IV) atom is in a pseudo-octa-hedral coordination environ-ment with the imidazolido-group N-atoms occupying apical positions and amido- and imino-N-atoms cis-located in the equatorial plane. The presence of two bidentate chelating ligands determines the chirality of the Ti(IV) atom. The crystallographically independent unit, except for its phenyl rings, adopts nearly pseudo-C(2) symmetry (rotation around a twofold axis passing through the Ti atom and the centre of the imino-N⋯imino-N segment). The Ti-N(amido), Ti-N(imidazolido), and Ti-N(imino) bond lengths essentially differ, increasing by approximately 0.2 Å in the series. All ligating N atoms are in a nearly planar environment, which is indicative of additional pπ-dπ donations towards the metal atom. The two diaza-metallacyclic units are planar within 0.03 and 0.05 Å.
标题化合物[[Ti(C₂H₁₀N)(₂)(C₁₁H₁₀N₃)(₂)]或Ti(C₁₁H₁₀N₃)(₂)(NEt₂)(₂)]是通过2-(N-苯基-甲基-亚氨基-甲基)-1H-咪唑与[Ti(NEt₂)(₄)]直接反应制备的。Ti(IV)原子处于伪八面体配位环境中，咪唑基的N原子占据顶端位置，酰胺基和亚氨基的N原子位于赤道平面且呈顺式排列。两个双齿螯合配体的存在决定了Ti(IV)原子的手性。除苯环外，晶体学独立单元几乎具有伪C₂对称性（绕通过Ti原子和亚氨基-N⋯亚氨基-N片段中心的二重轴旋转）。Ti-N(酰胺基)、Ti-N(咪唑基)和Ti-N(亚氨基)键长基本不同，在该系列中大约增加0.2 Å。所有配位N原子都处于近乎平面的环境中，这表明存在额外的pπ-dπ向金属原子的电子给予。两个二氮杂金属环单元在0.03和0.05 Å范围内是平面的。
