Crystal and molecular structures of N-diphenylphosphinyl- and N-diphenylthiophosphinyl-N '-phenyl guanidines, Ph2P(Y)N=C(NH2)NHPh (Y = O, S)

The crystal and molecular structures of the title compounds have been deter mined. Ph2P(O)N=C(NH2)NHPh (1) crystallizes in the space group P2(1)2(1)2(1 ) With four molecules in the unit cell of dimensions: a = 9.183(1), b = 11. 699(1), c = 16.554(2) A. Ph2P(S)N=C(NH2)NHPh (2) crystallizes in the space group PI with four molecules in the unit cell of dimensions: a = 9.479(2), b = 13.695(1), c = 14.037(1) Angstrom, alpha = 82.98(1), beta = 89.31(1), g amma = 87.67(1)degrees. The structures were solved by direct methods. The m olecules of 1 and 2 are associated via weak intermolecular NH O (1) and NH S (2) hydrogen bonds, respectively. Besides that, weak intramolecular inter actions were observed between the NH2 group and the chalcogen atom in both structures. Additionally, hydrogen bonds were characterized by IR spectrosc opy in solution as well as in the solid state in dependence on temperature. (C) 2000 Elsevier Science B.V. All rights reserved.