Synthesis and Crystal Structure of 1-(2,6-Dichloro-4-nitrophenyl)-5-amino-4-cyanopyrazole

【摘要】 The crystal structure of 1-(2,6-dichloro-4-nitrophenyl)-5-amino-4-cyanopyrazole (C10H10Cl2N5O2, Mr = 298.09) has been determined by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 8.1258(10), b = 8.6460(10), c = 10.0214(12) , α = 68.986(2), β = 71.598(2), γ = 85.181(2)o, V = 623.26(13) 3, Z = 2, Dc = 1.588 g/cm3, μ = 0.525 mm-1, F(000) = 300, R = 0.0613 and wR = 0.1524 for 1890 observed reflections, and the extinction coefficient = 0.010(5). The crystal structure is stabilized by N-H···N hydrogen bonds.更多还原

【Abstract】 The crystal structure of 1-(2,6-dichloro-4-nitrophenyl)-5-amino-4-cyanopyrazole (C10H10Cl2N5O2, Mr = 298.09) has been determined by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 8.1258(10), b = 8.6460(10), c = 10.0214(12) , α = 68.986(2), β = 71.598(2), γ = 85.181(2)o, V = 623.26(13) 3, Z = 2, Dc = 1.588 g/cm3, μ = 0.525 mm–1, F(000) = 300, R = 0.0613 and wR = 0.1524 for 1890 observed reflections, and the extinction coefficient = 0.010(5). The crystal structure is stabilized by N–H···N hydrogen bonds.更多还原