Abstract
Sulfisoxazole, C11H18N3O3S, crystallized in the orthorhombic system, space group Pbca, with a=14.492(1), b=11.563(1), c=14.900(2) A and Z=8. Intensities for 1867(1360 observed) unique reflections were measured on a four-circle diffractometer with CuKα radiation (λ=1.5418A). The structure was solved by heavy atom methods and refined by full-matrix least-squares procedures to a final R of 0.094. The benzene ring plane makes an angle of 68° with the plane of the isoxazole ring, which is planar. The conformational angle formed by the torsional angle C(4)−S−N(2)−C(7) is 54°. There are two intermolecular hydrogen bonds in the structure. One of them is of the type N−H…O with the length 2.970A, and another is of the type N−N…N with the length 2.915A. Thus two dimensional networks of hydrogen bonds form infinite molecular sheets parallel to the (001) plane. Adjacent sheets are bound together by van der Waals forces.
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