Crystal structure of 1,1-dichloro-3-dichloromethyl-1a-3-dipenyl-1a,2,3,4-tetrahydro-1H-azirino[1,2-a][1,5] benzodiazepine (C23H18Cl4N2)

The crystal structure of the title compound, 1,1-dichloro-3-dichloro-3-dichloromethyl-1a, 3-diphenyl-1a,2, 3, 4-tetrahydro-1H-azirino[1 , 2-a] [1, 5] benzodiazepine (C23H18Cl4N2 M-r = 464. 22) was crystallized in triclinic, space group P<(1) over bar> with cell dimensions a = 9. 621(7) , b = 9. 694(9) , c = 12. 669(6) Angstrom , a = 107. 99(5)degrees, beta = 101. 42(5)degrees, gamma = 69. 94(6)degrees, V = 1050. 2(4) Angstrom,3, Z = 2, D-c,= 1. 468 g/cm(3), Cuka(lambda = 1. 5418 Angstrom). F(000)= 1816, mu = 2. 44 mm(-1). The structure was solved by direct methods and refined by full-matrix least-squares method, and the final crystallographic discrepancy factor is 0. 063 for 2555 observed reflections. The molecular backbone is a tricyclic system with the central seven-membered 1,5-diazepine ring in twisted boatlike conformation and cis-fused to both aziridine ring and benzene ring.