The title compound （C16H15ClN2） has been synthesized by a facile self-condensation of o-tolunitrile promoted by potassium tert-butanolate in DMPU, and its structure was characterized by ^1H NMR, ^13C NMR, IR, UV, HR...The title compound （C16H15ClN2） has been synthesized by a facile self-condensation of o-tolunitrile promoted by potassium tert-butanolate in DMPU, and its structure was characterized by ^1H NMR, ^13C NMR, IR, UV, HRMS and X-ray single-crystal diffraction. The crystal belongs to orthorhombic, space group Pna21 with a = 19.560（3）, b = 7.8500（14）, c = 18.428（3） A^°, Dc = 1.271 g/cm^3, Z= 8, 2 = 0.71073 A^°,μ（MoKa） = 0.257 mm^-1, Mr = 270.75, V= 2829.5（8） A^°^3, Flack parameter = 0.12（12）, F（000） = 1136, the final R = 0.0571 and wR = 0.1445 for 2701 observed reflections with I 〉 20（I）. The intermolecular N-H…Cl hydrogen bonds link the molecules into a one-dimensional chain running along axis a.展开更多
It has been reported in a previous work that both compounds Ⅰ and Ⅱ could be obtained simultaneously by the reaction of N-substituted salicylanilide with thiophosphoryl dichloride in the presence of triethylamine or...It has been reported in a previous work that both compounds Ⅰ and Ⅱ could be obtained simultaneously by the reaction of N-substituted salicylanilide with thiophosphoryl dichloride in the presence of triethylamine or potassium carbonate:展开更多
基金Supported by the Key Plan of Science Research Program of China (No. 2006BAE01A01)
文摘The title compound （C16H15ClN2） has been synthesized by a facile self-condensation of o-tolunitrile promoted by potassium tert-butanolate in DMPU, and its structure was characterized by ^1H NMR, ^13C NMR, IR, UV, HRMS and X-ray single-crystal diffraction. The crystal belongs to orthorhombic, space group Pna21 with a = 19.560（3）, b = 7.8500（14）, c = 18.428（3） A^°, Dc = 1.271 g/cm^3, Z= 8, 2 = 0.71073 A^°,μ（MoKa） = 0.257 mm^-1, Mr = 270.75, V= 2829.5（8） A^°^3, Flack parameter = 0.12（12）, F（000） = 1136, the final R = 0.0571 and wR = 0.1445 for 2701 observed reflections with I 〉 20（I）. The intermolecular N-H…Cl hydrogen bonds link the molecules into a one-dimensional chain running along axis a.
基金Project supported by the Science Fund of Academia Sinica
文摘It has been reported in a previous work that both compounds Ⅰ and Ⅱ could be obtained simultaneously by the reaction of N-substituted salicylanilide with thiophosphoryl dichloride in the presence of triethylamine or potassium carbonate:
