The title compound （2-iodo-5-nitrophenyl）-[1-（1-methylazepan-3-yl）-lH-indol-3- yl]methanone （C22H22IN303, Mr- 503.07 ） was synthesized by the reaction of 3-（2-iodo-5- nitrobenzoyl）indole with 2-chloromethyl-1-...The title compound （2-iodo-5-nitrophenyl）-[1-（1-methylazepan-3-yl）-lH-indol-3- yl]methanone （C22H22IN303, Mr- 503.07 ） was synthesized by the reaction of 3-（2-iodo-5- nitrobenzoyl）indole with 2-chloromethyl-1-methylpiperidine. Its chemical structure was determined by 1H NMR, 13C NMR, DEPT, COSY, HMQC, HMBC, HRMS and X-ray single-crystal diffraction. The crystal belongs to the triclmic system, space group P1 with a = 9.153（4）, b = 10.409（3）, c = 11.882（4） A, a = 71.84（3）, β = 78.67（3）, ）, = 75.49（3）°, V = 1032.7（6） A3, Z = 2, Dc= 1.619 g/era3, = 1.579 mm-1, F（000） = 504, R = 0.0270 and wR = 0.0498 for 3634 observed reflections with I 〉 20（/）. X-ray analysis shows that the indole ring forms a dihedral angle of 84.57（12）° with the iodobenzene ring and the azepane ring adopts a twisted chair conformation. Weak C-H...O hydrogen bonding contributes to the stability and packing of the structure.展开更多
基金Supported by Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation (2013CL09, 21275022)Changsha University of Science & Technology,National Natural Science Foundation of China (21202010)Natural Science Foundation of Hunan Province (12JJ4021)
文摘The title compound （2-iodo-5-nitrophenyl）-[1-（1-methylazepan-3-yl）-lH-indol-3- yl]methanone （C22H22IN303, Mr- 503.07 ） was synthesized by the reaction of 3-（2-iodo-5- nitrobenzoyl）indole with 2-chloromethyl-1-methylpiperidine. Its chemical structure was determined by 1H NMR, 13C NMR, DEPT, COSY, HMQC, HMBC, HRMS and X-ray single-crystal diffraction. The crystal belongs to the triclmic system, space group P1 with a = 9.153（4）, b = 10.409（3）, c = 11.882（4） A, a = 71.84（3）, β = 78.67（3）, ）, = 75.49（3）°, V = 1032.7（6） A3, Z = 2, Dc= 1.619 g/era3, = 1.579 mm-1, F（000） = 504, R = 0.0270 and wR = 0.0498 for 3634 observed reflections with I 〉 20（/）. X-ray analysis shows that the indole ring forms a dihedral angle of 84.57（12）° with the iodobenzene ring and the azepane ring adopts a twisted chair conformation. Weak C-H...O hydrogen bonding contributes to the stability and packing of the structure.
