Synthesis and Crystal Structure of 3-{[(1E)1-(2-Hydroxyphenyl) methylidene]amino}-4-cyanopyrazole

• 作 者: 程青芳 许兴友 王启发 钱保华 刘望军 杨绪杰
• 机 构: Materials Chemistry Laboratory, Nanjing University of Science and Technology,Department of Chemical
• 出 处: 结构化学
• 发表日期: 2009年10期
• 关键词: antibacterial preliminary absolute pyrazole belongs monoclinic Schiff derivative

The title Schiff base compound (C11H8N4O), a derivative of pyrazole, has been synthesized by the reaction of salicylaldehyde and 3-amino-4-cyanopyrazole in absolute ethanol and characterized by elemental analyses, IR, 1H NMR and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n, with a = 7.5594(7), b = 18.3342(19), c = 22.461(2) , β = 98.419(2)o, V = 3079.5(5) 3, Mr = 212.21, Z = 12, F(000) = 1320, Dc = 1.373 g/cm3, T = 298(2) K, λ = 0.71073 , the final R = 0.0571 and wR = 0.0493. A total of 5412 unique reflections were collected, of which 1612 with I > 2σ(I) were observed. The molecular structure adopts a trans configuration about the C=N double bond. The preliminary biological tests show that the compound has high antibacterial activities.

The title Schiff base compound (C11H8N4O), a derivative of pyrazole, has been synthesized by the reaction of salicylaldehyde and 3-amino-4-cyanopyrazole in absolute ethanol and characterized by elemental analyzes, IR, 1H NMR and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21 / n with a = 7.5594 (7), b = 18.3342 (19), c = 22.461 (5) Mr3, Mr = 212.21, Z = 12, F (000) = 1320, Dc = 1.373 g / cm3, T = 298 (2) K, λ = 0.71073 , the final R = 0.0571 and wR = The total structure of 5412 unique reflections were collected, of which 1612 with I> 2σ (I) were observed. The molecular structure accepts a trans configuration about the C = N double bond. The preliminary biological tests show that the compound has high antibacterial activities .