The crystal structure of 1-[(1?-phenyl-5?-methyl-4?-pyrazolcarbonyl)]-3-methyl thio- 5-amino-1H-yl-1,2,4-triazole (C14H14N6OS, Mr = 314.37) has been determined by single-crystal X-ray diffraction analysis. The cryst...The crystal structure of 1-[(1?-phenyl-5?-methyl-4?-pyrazolcarbonyl)]-3-methyl thio- 5-amino-1H-yl-1,2,4-triazole (C14H14N6OS, Mr = 314.37) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P1 with a = 8.026(3), b = 8.651(4), c = 11.369(5) ?, α = 89.917(7), β = 89.084(7), γ = 68.470(6)°, V = 734.2(5) ?3, Z = 2, Dc= 1.422 g/cm3, μ = 0.232 mm-1, F(000) = 328, R = 0.0376 and wR = 0.0890 for 2950 unique reflections. The crystal structure shows the presence of a dimmer with intermolecular N(4)–H(4)… N(3A) hydrogen bonds.展开更多
文摘The crystal structure of 1-[(1?-phenyl-5?-methyl-4?-pyrazolcarbonyl)]-3-methyl thio- 5-amino-1H-yl-1,2,4-triazole (C14H14N6OS, Mr = 314.37) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P1 with a = 8.026(3), b = 8.651(4), c = 11.369(5) ?, α = 89.917(7), β = 89.084(7), γ = 68.470(6)°, V = 734.2(5) ?3, Z = 2, Dc= 1.422 g/cm3, μ = 0.232 mm-1, F(000) = 328, R = 0.0376 and wR = 0.0890 for 2950 unique reflections. The crystal structure shows the presence of a dimmer with intermolecular N(4)–H(4)… N(3A) hydrogen bonds.
