SYNTHESIS AND CRYSTAL STRUCTURE OF TWO DERIVATIVES OF BENZODIAZEPINES
G.Y.S.K. Swamy1, B. Sridhar2, K. Ravikumar3, K.S. Reddy4, V.V.N. Reddy5
1 Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India, swamygundimella@yahoo.com
2 Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India
3 Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India
4 Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India
5 Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India
Keywords: Crystal structure, X-ray diffraction, benzodiazepines, hydrogen bonding
Pages: 800-804
Abstract
Two benzodiazepine derivatives, C23H22N2O (I), 2-methyl-8-methoxy-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine, and C22H17N3O2Br2 (II), 2-methyl-7-nitro-2,4-bis(4′-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine, were studied by single crystal X-ray diffraction method. Compound (I) crystallizes in the monoclinic system, space group P21/c, a = 13.1703(17), b = 11.1990(14), c = 12.9093(16) Å, β = 107.831(2)°, V = 1812.6(3) Å3, Z = 4. Compound (II) crystallizes in the monoclinic system, space group P21/n, a = 11.7345(12), b = 12.7477(13), c = 13.5965(14) Å, β = 95.221(2)°, V = 2025.4(4) Å3, Z = 4. The molecules of (I) and (II) have T-shape form with the diazepine ring at the junction point. The seven membered central benzodiazepine ring in both structures adopt a twist-boat conformation. The crystal packing is stabilized by C-H…π (in I) and C-H…O (in II) interactions.
|
