Crystal Structures of 1, 5-Diacetyl-2, 2, 4-trimethyl-1H-tetrahydro-1, 5-benzodiazepine (DARTMBD) and N ₅-Ethoxycarbonyl-2-methyl-2, 4-diphenyl-1H-tetrahydro-1, 5-benzodiazepine (ECRPMBD)

摘要

The benzodiazepines, namely 1, 5-Diacetyl-2, 2, 4-trimethyl-1H-tetrahydro-1, 5-ben- zodiazepine (C₁₆H₂₂N₂O₂), (DARTMBD, CCDC 716181) and N ₅-Ethoxycarbonyl-2-methyl-2, 4-diphenyl-1H-tetrahydro-1, 5-benzodiazepine (C₂₅H₂₆N₂O₂), (ECRPMBD, CCDC 716182) possess potential pharmacological activities. DARTMBD crystallizes in monoclinic space group P2₁/c with cell parameters: a = 10.0582(3) à , b = 9.6019(3) °, c = 16.0837(4) °, β = 103.100(1)°, and V = 1512.91(8) °3; ECRPMBD crystallizes in triclinic system, PÄ« with two crystallographically independent molecules in the asymmetric unit. The cell parameters are: a = 12.2807(4) °, b = 12.8410(5) °, c = 13.9714(4) °, α = 90.626(2)°, β = 105.200(3)°, γ = 100.324(2)°, and V = 2087.84(12)°3. Both the structures were solved by direct methods and refined by full-matrix least-squares procedures to final R-values of 0.0552 and 0.0487, respectively. The benzodiazepine ring in both the structures adopts twist-boat conformation. In DARTMBD, the dimer formation occurs through C-H…O intermolecular interactions whereas in ECRPMBD, the molecules are stabilized by N-H…O, and C-H…O types of hydrogen bonds.