Synthesis and Crystal Structure of 2,2-Dimethyl-4- [1H-(1,2,4-triazolyl)]-4-[1H-benzotriazolyl]-3- butanone[t-BuCOCH(C_2H_2N_3)(C_6H_4N_3)]  

作　　者：建方方 许良忠 李琳 朱崇毅 

机构地区：[1]New Materials & Function Coordination Chemistry Laboratory, Qingdao University of Science and Technology, Qingdao 266042, China

出　　处：《Chinese Journal of Structural Chemistry》2004年第6期539-542,共4页结构化学（英文）

基　　金：Natural Science Foundation of Shandong Province (No. Y2002B06)

摘　　要：The title compound, [t-BuCOCH(C2H2N3)(C6H4N3)], has been prepared and characterized by elemental analysis, IR spectrum and X-ray studies. It crystallizes in mono-clinic, space group C2/c with a = 11.563(3), b = 10.906(3), c = 23.602(5) ? b = 98.35(3)? C14H16N6O, Mr = 284.33, V = 2944.8(13) 3, Z = 8, Dc = 1.283 g/cm3, F(000) = 1200, = 0.087 mm-1, R = 0.0535 and wR = 0.1046. The crystal structure consists of discrete 2,2-dimethyl-4-[1H-(1,2,4-triazolyl)]-4-[1H-benzotriazolyl]-3-butanones. The planes of carbonyl group and benzotriazole ring form the dihedral angle of 89.14(1). The molecules of the title compound are connected to each other through extensive hydrogen bonds to form hydrogen networks. Elemen- tal analysis and IR spectra are in good agreement with the structural data.The title compound, [t-BuCOCH(C2H2N3)(C6H4N3)], has been prepared and characterized by elemental analysis, IR spectrum and X-ray studies. It crystallizes in mono-clinic, space group C2/c with a = 11.563(3), b = 10.906(3), c = 23.602(5) ? b = 98.35(3)? C14H16N6O, Mr = 284.33, V = 2944.8(13) 3, Z = 8, Dc = 1.283 g/cm3, F(000) = 1200, = 0.087 mm-1, R = 0.0535 and wR = 0.1046. The crystal structure consists of discrete 2,2-dimethyl-4-[1H-(1,2,4-triazolyl)]-4-[1H-benzotriazolyl]-3-butanones. The planes of carbonyl group and benzotriazole ring form the dihedral angle of 89.14(1). The molecules of the title compound are connected to each other through extensive hydrogen bonds to form hydrogen networks. Elemen- tal analysis and IR spectra are in good agreement with the structural data.

关 键 词：crystal structure 1 2 4-TRIAZOLE BENZOTRIAZOLE BUTANONE 

分 类 号：O623.521[理学—有机化学]