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| Synthesis and Crystal Structure of N-[2-（4-Chlorophenyl）-1-（1-methylcarbamoyl-2-phenyl-ethylcarbamoyl）-3-phenyl-cyclopropyl]-benzamide | |
| 引用本文： | 黄婉云,苏桂发,潘成学,覃江克,义祥辉.Synthesis and Crystal Structure of N-[2-（4-Chlorophenyl）-1-（1-methylcarbamoyl-2-phenyl-ethylcarbamoyl）-3-phenyl-cyclopropyl]-benzamide[J].结构化学,2011,30(10):1387-1392. |
| 作者姓名： | 黄婉云 苏桂发 潘成学 覃江克 义祥辉 |
| 作者单位： | 1. State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources, College of Chemistry ＆Chemical Engineering, Guangxi Normal University, Guilin 541004, China／Department of Chemistry ＆ Chemical Engineering, Cruilin Normal College, Guilin 541001, China 2. State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources, College of Chemistry ＆Chemical Engineering, Guangxi Normal University, Guilin 541004, China 3. Department of Chemistry ＆ Chemical Engineering, Cruilin Normal College, Guilin 541001, China |
| 基金项目： | Supported by the National Natural Science Foundation of China (No.20862003); Natural Science Foundation of Guangxi Province (No.2010GXNSFF013001) |
| 摘 要： | N-2-(4-chlorophenyl)-1-(1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-phenyl-cyclopropyl]benzamide,C33H30ClN3O3,has been synthesized and characterized by IR,1H NMR,13C NMR and single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 11.646(2),b = 13.795(3),c = 14.559(3),α = 76.422(4),β = 78.028(4),γ = 74.500(4)°,V = 2164.6(7)3,Z = 3,Mr = 552.05,Dc = 1.270 g/cm3,λ = 0.71073 ,μ(MoKα)= 0.171 mm–1,F(000)= 870,the final R = 0.0469 and wR = 0.0805 for 5554 observed reflections with I > 2σ(I).The N–H and oxygen atoms are involved in one-dimensional intermolecular hydrogen bonds,which further stabilize the structure. |
| 关 键 词： | 晶体结构 氯苯基 合成 苯甲酰 丙基 分子间氢键 NMR 射线衍射 |
Synthesis and Crystal Structure of N-[2-(4-Chlorophenyl)-1-(1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-phenyl-cyclopropyl]-benzamide |
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| HUANG Wan-Yun , SU Gui-Fa , PAN Cheng-Xue , QIN Jiang-Ke , YI Xiang-Hui.Synthesis and Crystal Structure of N-[2-(4-Chlorophenyl)-1-(1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-phenyl-cyclopropyl]-benzamide[J].Chinese Journal of Structural Chemistry,2011,30(10):1387-1392. | |
| Authors: | HUANG Wan-Yun SU Gui-Fa PAN Cheng-Xue QIN Jiang-Ke YI Xiang-Hui |
| Institution: | HUANG Wan-Yuna,b SU Gui-Faa② PAN Cheng-Xuea QIN Jiang-Kea YI Xiang-Huib a(State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources,College of Chemistry ＆ Chemical Engineering,Guangxi Normal University,Guilin 541004,China)b(Department of Chemistry ＆ Chemical Engineering,Guilin Normal College,Guilin 541001,China) |
| Abstract: | N-2-(4-chlorophenyl)-1-(1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-phenyl-cyclopropyl]benzamide,C33H30ClN3O3,has been synthesized and characterized by IR,1H NMR,13C NMR and single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 11.646(2),b = 13.795(3),c = 14.559(3),α = 76.422(4),β = 78.028(4),γ = 74.500(4)°,V = 2164.6(7)3,Z = 3,Mr = 552.05,Dc = 1.270 g/cm3,λ = 0.71073 ,μ(MoKα)= 0.171 mm–1,F(000)= 870,the final R = 0.0469 and wR = 0.0805 for 5554 observed reflections with I > 2σ(I).The N–H and oxygen atoms are involved in one-dimensional intermolecular hydrogen bonds,which further stabilize the structure. |
| Keywords: | conformationally constrained peptides synthesis crystal structure |
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