Synthesis, characterization, Hirshfeld surface, cytotoxicity, DNA damage and cell cycle arrest studies of N, N-diphenyl-N'-(biphenyl-4- carbonyl/4-chlorobenzoyl) thiocarbamides

The condensation reaction of biphenyl-4-carbonyl isothiocyanate/4-chlorobenzoyl isothiocyanate with
diphenylamine yielded two new compounds; N-diphenyl-N'-(biphenyl-4-carbonyl) thiocarbamide (1)
and N, N-diphenyl-N'-(4-chlorobenzoyl) thiocarbamide (2). Structure of the compounds were determined
by analytical, spectroscopic (UVeVisible, FTIR, 1H, & 13C NMR), powder and single-crystal X-ray
diffraction methods. Hirshfeld surface analysis and their associated two dimensional fingerprint plots of
compounds were used as theoretical approach to assess driving force for crystal structure formation via
the intermolecular interactions in their crystal lattices. The compounds were screened for their in vitro
cytotoxicity activity against a panel of five human cancer cell lines namely; cervical (2008 and C13*) and
ovarian carcinoma (A2780, A2780/CP and IGROV-1). Both the compounds exhibited promising activity
against cervical and IGROV-1 cancer cells whereas for the other two cell lines appreciable activities were
observed. The cell cycle arrest at G0/G1 phase is supported by the DNA damage and apoptosis studies of
the compounds against 2008, C13* and IGROV-1 cell lines