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) ?, β = 100.761(3)°, V = 1072.5(3) ?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.
O-Ethyl S-hydrogen isoquinolin-1-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, 1 H NMR, elemental analysis and single-crystal X-ray diffractometry. The crystal belongs to monoclinic, space group P21 / c with a = 10.9471 (19), b = 9.3968 (17), c = 10.6125 (19)?,? = 100.761 (3) °, V = 1072.5 (3)? 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 was 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.