1-三氟甲基-β-咔啉-3-羧酸正丁酯的晶体结构研究

Crystal Structrue of 3-carbobutyloxy-1-trifluoromethyl- 9H - pyrido[3,4-b]indole

通过核磁共振氢谱等对1-三氟甲基-β-咔啉-3-羧酸正丁酯的结构进行表征, 利用单晶X射线衍射法测定其结构.该晶体属单斜晶系,空间群为P21/c, 晶体学参数为:a= 0.81231(4)nm,b = 1.71197(8)nm, c = 1.16388(6)nm; α=90°, β= 93.615(2)°, γ=90°; Z=4, F(000)=696,R1=0.1756.

The structrue of the 3-carbobutyloxy-1 -trifluoromethyl- 9H - pyrido[3,4-b] indole was determined by IR, 1HNMR,MS and X-ray diffraction analysis. Crystal data: monoclinic, space group P21/c, a = 0.81231(4)nm, b = 1.71197(8)nm, c =1.16388(6)nm; α=90°, β= 93.615(2) °, γ= 90°; Z=4, F(000)= 696, R1= 0.1756.