Synthesis and Structure of O-Ethyl S-Hydrogen Isoquinolin-1-ylcarbonothioimidate
- 化学化工－已发表论文 
O-Ethyl S-hydrogen isoquinolin-1-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, H-1 NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2(1)/c with a = 10.9471(19), b = 9.3968(17), c = 10.6125(19) angstrom, beta = 100.761(3)degrees, V = 1072.5(3) angstrom(3), Z = 4, D-c = 1.439 g/cm(3), F(000) = 488 and P = 0.279 mm(-1). A total of 7763 reflections were collected, of which 2090 were unique. The structure was refined to the final R = 0.0322 and wR = 0.0882 for 2016 observed reflections with I > 2 sigma(I). The crystal structure shows that there are intramolecular N-(HS)-S-... hydrogen bonds and pi-pi stacking interactions between adjacent molecules.