Synthesis and crystal structure of supramolecular compound 2,5-bis-(ethoxycarbonylamino)-1,3,4-thiadiazole

A novel method for the synthesis 2,5-bis-substituted-1,3,4-thiadiazoles by direct cyclization of 1,6-bis-substituted dithiourea in refluxing DMF solution is presented. Supramolecular compound 2,5-bis(ethoxycarbonylamino)-1,3,4-thiadiazole was synthesized via this method, and the structure was determined by elemental analysis, IR, H-1 NMR and X-ray diffraction analysis. Crystal data: monoclinic, space group 3 P2(1)/c, a=1.0093(4) nm, b=0.9035(4) nm, c=1.2924(6) nm, beta=96.785(9)degrees, V=1.1703(9) nm(3) Z=4, D-c = 1.477 g/cm(3), F(000) = 544,,mu = 0.287 mm(-1). The supramolecule with two-dimensional netlike structure is formed by intermolecular hydrogen bonding.