N-乙酰基-3,3-双(3-(4-氯苯基)-1,2,4-噁二唑-5-基)-1H-吲哚-2(3H)-酮的合成及其晶体结构

Synthesis and crystal structure of 1-acetyl-3,3-bis((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)indolin-2-one

标题化合物C28H19C l2N5O4由2分子5-(一氯甲基)-3-(4-氯苯基)-1,2,4-噁二唑和1分子N-乙酰基-吲哚-2-酮反应,用乙酸乙酯重结晶得到.在该化合物的晶体结构中,一个结构单元中包含2分子的N-乙酰基-3,3-双(3-(4-氯苯基)-1,2,4-噁二唑-5-基)-1H-吲哚-2(3H)-酮.其结构通过X-射线衍射法确定,晶体属于单斜晶系,P21/c空间群,Mr=1 119.76,a=13.747(3)nm,b=16.308(3)nm,c=23.433(5)nm,β=97.20(3),°V=5 211.9(19)nm3,dc=1.427 g/cm3,Z=4,F(000)=2 300,μ=0.294 mm-1,最终偏差因子分别为R=0.088 6,wR=0.212 0,分子之间通过相邻分子间形成的C—H…O氢键相连.

The title compound C28H19C12 N5O4 was obtained by the reaction of N-acetyl-2-indolinone with 3-（4-chloro） phenyl-5-chloromethyl-1,2,4-oxadiazol in acetone and potassium carbonate for 72 hours and recystallization from ethyl acetate. Its structure was characterized by single crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 13. 747（3） nm, b = 16. 308（3） nm, c =23. 433（5） nm, β =97.20（3）°, V=5 211.9（8） nm^3, Mr = 1 119.76,dc = 1.427 g/cm^3, Z =4, F（000） =2 300,μ=0. 294 mm^-1, R =0. 088 6 and wR = 0. 212 0. Molecules are linked by intramolecular C-H…O hydrogen bonds.