Synthesis and Crystal Structure of N-(2-(1-butyl-3-phenylureido)-1H- indol-3-yl)-N-(4-chlorophenyl)benzamide  

作　　者：和平 丁明武 

机构地区：[1]College of Chemical Engineering and Food Science, Hubei University of Arts and Science [2]Research Center for Materials Science & Engineering, Hubei University of Arts and Science [3]Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Central China Normal University

出　　处：《Chinese Journal of Structural Chemistry》2013年第2期306-310,共5页结构化学（英文）

基　　金：supported by Educational Commission of Hubei Province (No. Q20122509);the National NaturalScience Foundation of China (No. 21172085);the Doctoral Starting up Foundation of Hubei University of Arts and Science

摘　　要：The title compound N-（2-（1-butyl-3-phenylureido）-1H-indol-3-yl）-N-（4-chloro-phenyl）-benzamide （C32H29ClN4O2, Mr = 537.04） was synthesized by a sequential Ugi four com-ponent condensation （4CC）/aza-Wittig/carbodiimide-mediated cyclization, and the structure was characterized by NMR, IR, MS, elemental analysis and X-ray single-crystal diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 11.3663（9）, b = 13.3248（10）, c = 18.7887（15） A, V = 2845.6（4）A^3, Z = 4, Dc=1.254 mg/m^3,μ = 0.170 mm^-1, F（000） = 1128, the final R = 0.0538 and wR = 0.1187. X-ray analysis reveals that the new five-membered ring （C（ 14）-C（ 15）-N（2）-C（ 16）-C（21 ）） and the benzene ring （C（16）-C（21 ）） are nearly coplanar.The title compound N-（2-（1-butyl-3-phenylureido）-1H-indol-3-yl）-N-（4-chloro-phenyl）-benzamide （C32H29ClN4O2, Mr = 537.04） was synthesized by a sequential Ugi four com-ponent condensation （4CC）/aza-Wittig/carbodiimide-mediated cyclization, and the structure was characterized by NMR, IR, MS, elemental analysis and X-ray single-crystal diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 11.3663（9）, b = 13.3248（10）, c = 18.7887（15） A, V = 2845.6（4）A^3, Z = 4, Dc=1.254 mg/m^3,μ = 0.170 mm^-1, F（000） = 1128, the final R = 0.0538 and wR = 0.1187. X-ray analysis reveals that the new five-membered ring （C（ 14）-C（ 15）-N（2）-C（ 16）-C（21 ）） and the benzene ring （C（16）-C（21 ）） are nearly coplanar.

关 键 词：synthesis crystal structure INDOLE REARRANGEMENT 

分 类 号：O626[理学—有机化学]