Thermal and Crystallographic Studies of tert-Butyl 2-amino-1H-1,3-benzodiazole-l-carboxylate

tert-Butyl 2-amino-1H-1,3-benzodiazole-1-c arboxylate was synthesized by the reaction of di-text-butyl dicarbonate with 2-aminobenzimidazole in good yield. The compound was characterized by FT-NMR, FT-IR and single crystal X-ray diffraction. The compound crystallized in orthorhombic lattice with Pbca space group and having unit cell parameters of a = 15.5303(6) angstrom, b = 9.3643(4) angstrom, c = 17.2112(7) angstrom, v = 2503.03(18) angstrom(3), Dx = 1.238 mg m-3 and Z = 8. The crystal structure of compound was stabilized by N-H center dot center dot center dot N and C H center dot center dot center dot O intermolecular interactions. The molecules are arranged into zig-zag manner in a dimeric form by N2-H1A center dot center dot center dot N1 and C12 H12C center dot center dot center dot O intermolecular hydrogen bonding which exhibited center of symmetric R2(2)(()8) and chain C1(8) patterns respectively. The thermal analysis of crystal was determined by DSC and TGA.