Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives.

Background: 1,4-Diazepine derivatives are the seven membered, nitrogen containing heterocyclic ring systems possessing a wide range of therapeutic applications. 1,4-Diazepines attracted the attention of chemists and druggists due to their biological and medicinal properties, such as antimicrobial, anti-HIV and anticancer activities. Herein, we report the preparation, crystal structure determined by X-ray crystallographic methods and docking of the molecules with the potential target protein NS5B RNA polymerase.

cis-Chlorido(methyl-amine)-bis-(propane-1,3-diamine)-cobalt(III) dichloride monohydrate.

In the title compound, [CoCl(CH5N)(C3H10N2)2]Cl2·H2O, the Co(III) ion has an octa-hedral coordination environment and is surrounded by four N atoms of two propane-1,3-diamine ligands in the equatorial plane, with another N atom of the methylamine ligand and a Cl atom occupying the axial positions. The crystal packing is stabilized by inter-molecular N-H⋯O, N-H⋯Cl, and O-H⋯Cl inter-actions, generating a three-dimensional network.

cis-Chlorido(ethyl-amine)-bis-(propane-1,3-diamine)-cobalt(III) dichloride.

In the title compound, [CoCl(C2H7N)(C3H10N2)2]Cl2, the Co(III) ion has a distorted octa-hedral coordination environment and is surrounded by four N atoms in the equatorial plane, with the other N and Cl atoms occupying the axial positions. The crystal packing is stabilized by N-H⋯Cl hydrogen bonds, forming a layered arrangement parallel to (1-10).