Abstract
The chemically achiral title molecule, [Ti(C4H10N)2(C21H16N2)], crystallizes in the chiral space group P21. All three N atoms coordinating to the TiIV atom adopt planar environments [sums of valence angles = 359.5 (6), 360.0 (7) and 360.0 (6)°], which is indicative of pπ–dπ donation from all of these N atoms to the metal and, thus, of the formal 18 e− nature of the complex. The overall coordination about the TiIV atom is distorted tetrahedral, assuming the cyclopentadienyl ring occupies one coordination site. The Ti—Nimidazole amide-type bond is longer by approximately 0.16 Å than the other two Ti—Namide bonds.
Highlights
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
All three N atoms coordinating to the TiIV atom adopt planar environments [sums of valence angles = 359.5 (6), 360.0 (7)
360.0 (6) ], which is indicative of p–d donation from all of these N atoms to the metal and, of the formal 18 e nature of the complex
Summary
Xianfeng Cai,‡ Yingying Xu, Wanli Nie* and 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. R factor = 0.040; wR factor = 0.102; data-to-parameter ratio = 15.8
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