【摘 要】
：
O-Ethyl S-hydrogen isoquinolin-1-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, 1H NMR, elemental analysis and single-cryst
【机 构】
：
Department of Chemistry,State Key Laboratory for Physical Chemistry of Solid Surfaces
【基金项目】
：
the Fund of Longyan College
论文部分内容阅读
O-Ethyl S-hydrogen isoquinolin-1-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, 1H NMR, elemental analysis and single-crystal X-ray diff- raction. The crystal belongs to monoclinic, space group P21/c with a = 10.9471(19), b = 9.3968(17), c = 10.6125(19) (A), β = 100.761(3)°, V = 1072.5(3)(A)3, Z = 4, Dc = 1.439 g/cm3, F(000) = 488 and μ = 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 > 2σ(I). The crystal structure shows that there are intramolecular N-H…S hydrogen bonds and π-π stacking interactions between adjacent molecules.
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