Synthesis,Characterization and X-ray Crystal Structure of N,N'-Bis(4-nitrophenylcarba-mothioyl)

• 作 者: 王海琴 陈乐 彭浩 贺红武
• 机 构: Key Laboratory of Pesticide and Chemical Biology,Ministry of Education and College of Chemistry,Cent
• 出 处: 结构化学
• 发表日期: 2011年12期
• 关键词: bonding monoclinic packing formamide antibacterial pesticide dimensions filtered

A new crystal of N,N’-bis(4-nitrophenylcarbamothioyl)isophthalamide DMF solva-te has been prepared at room temperature and characterized by elemental analysis and IR,MS,1H NMR spectra and X-ray single-crystal determination.The complex crystallizes in monoclinic,space group P21/c with a = 11.2093(12),b = 22.081(2),c = 13.9640(15) ,β= 112.128(2)°,V = 3201.8(6) 3,C28H30N8O8S2,Mr = 670.72,Dc = 1.391 Mg/m3,Z = 4,μ= 0.228 mm-1,F(000) = 1400,the final R = 0.0483 and wR = 0.1411(I > 2σ(I)).The molecular packing in the crystal is the result of N-H…O hydrogen bonding.

A new crystal of N, N’-bis (4-nitrophenylcarbamothioyl) isophthalamide DMF solva-te has been prepared at room temperature and characterized by elemental analysis and IR, MS, 1H NMR spectra and X-ray single-crystal determination. Complex crystallizes in monoclinic space group P21 / c with a = 11.2093 (12), b = 22.081 (2), c = 13.9640 (15) , β = 112.128 (2) °, V = 3201.8 (6) 3, C28H30N8O8S2 , Mr = 670.72, Dc = 1.391 Mg / m3, Z = 4, μ = 0.228 mm-1, F (000) = 1400, the final R = 0.0483 and wR = 0.1411 (I> 2σ (I) packing in the crystal is the result of NH ... O hydrogen bonding.