The title compound (2-iodo-5-nitrophenyl)-[1-(1-methylazepan-3-yl)-1H-indol-3-yl]methanone (C22H22IN3O3 , 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 triclinic system, space group P1 with a = 9.153(4), b = 10.409(3), c = 11.882(4) , α = 71.84(3), β = 78.67(3), γ = 75.49(3)°, V = 1032.7(6)3 , Z = 2, Dc = 1.619 g/cm 3 , = 1.579 mm -1 , F(000) = 504, R = 0.0270 and wR = 0.0498 for 3634 observed reflections with I > 2 (I). 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.
