Structure of 1-amidino-3-(3-sulfamoylphenyl)urea hydrochloride.
1-(Diaminomethylene)-3-(3-sulfamoylphenyl)uronium chloride, C8H12N5O3S+.Cl, Mr = 293.71, monoclinic, P21/c, a = 10.148 (1), b = 7.881 (1), c = 15.286 (3) A, beta = 94.77 (1) degrees, V = 1218.2 A3, Z = 4, Dx = 1.601 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 4.838 cm-1, F(000) = 608, T = 294 K, R = 0.069 for 1779 data. The molecular conformation of the protonated arylamidinourea is completely planar and all amidinourea N atoms have considerable sp2 hybridization. The stable tautomeric form has an intramolecular hydrogen bond between the ureido O atom and an amidino N atom. All N atoms in the molecular packing make contact with the Cl- ion.
Sutton
P A
PA
Medical Foundation of Buffalo, NY 14203.
Cody
V
V
D003460:Crystallization; D003461:Crystallography; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D015394:Molecular Structure; D010671:Phenylurea Compounds
D010671:Phenylurea Compounds; C062174:1-amidino-3-(3-sulfamoylphenyl)urea