Crystal and molecular structures of N-diphenylphosphinyl- and N-diphenylthiophosphinyl- N′-phenyl guanidines, Ph 2P(Y)NC(NH 2)NHPh (Y=O,S)

Abstract

The crystal and molecular structures of the title compounds have been determined. Ph 2P(O)NC(NH 2)NHPh ( 1) crystallizes in the space group P2 12 12 1 with four molecules in the unit cell of dimensions: a=9.183(1), b=11.699(1), c=16.554(2) Å. Ph 2P(S)NC(NH 2)NHPh ( 2) crystallizes in the space group P 1 ̄ with four molecules in the unit cell of dimensions: a=9.479(2), b=13.695(1), c=14.037(1) Å, α=82.98(1), β=89.31(1), γ=87.67(1)°. The structures were solved by direct methods. The molecules of 1 and 2 are associated via weak intermolecular NH⋯O ( 1) and NH⋯S ( 2) hydrogen bonds, respectively. Besides that, weak intramolecular interactions were observed between the NH 2 group and the chalcogen atom in both structures. Additionally, hydrogen bonds were characterized by IR spectroscopy in solution as well as in the solid state in dependence on temperature.