ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 18, Number 2
JKCSEZ 18(2)
April 20, 1974 

The crystal and molecular structure of sulfaguanidine monohydrate, C7H10N4O2S·H2O, was determined from visually estimated intensity data from Weissenberg photographs. The crystal data are monoclinic, space group P21/c with four molecules in a unit cell of dimensions, a = 7.57±0.03, b = 5.44±0.02, c = 24.76±0.06Å, β = 91.0±0.2°. The structure has been solved by an interpretation of a Patterson map and with a help of a direct procedure on a projection. The parameters were refined isotropically by block-diagonal least-squares methods using 1542 observed independent reflections to give R = 0.14. By hydrogen bonding a guanidyl nitrogen of a sulfaguanidine molecule is linked to the sulfonyl oxygens of the other molecules indirectly through two different water molecules. The role of water molecule is both a donor and an acceptor in hydrogen-bonding formation and these hydrogen bonds are tetrahedrally oriented. The hydrogen-bonding networks form infinite molecular layers parallel to (001) plane.