X-ray crystal structure of 2,5-dioxo-4-imidazolidineethanesulfonamide, C5H9N3O4S

The crystal structure of 2,5-dioxo-4-imidazolidineethanesulfonamide or homocysteine sulfonamide hydantoin, C5H9N3O4S (1) was obtained by single-crystal X-ray diffraction. Crystallization of 1 occurs in the centrosymmetric monoclinic space group C2/c (No. 15) with a = 15.653(2), b = 9.6489(10), c = 11.066(2) A, β = 94.64(2)○, and Z = 8. Molecules are in an extended structure with a C–C–C–S torsion angle of −174.2(1)○. The imidazolidinedione ring is planar and the sulfonamide group has a distorted tetrahedral geometry. A three-dimensional network of intermolecular hydrogen bonding occurs within the crystal lattice involving both imidazolidinedione and sulfonamide functional groups.