Synthesis and Crystal Structure of 3-Nitrophthalic Acid·3-methyl-4-nitropyridine N-Oxide Adducts  

作　　者：WANG Yi FENG Wei XUE Lin ZHENG Ji-Min 

机构地区：[1]Department of Chemistry, Nankai University , Tianjin 300071, China

出　　处：《Chinese Journal of Structural Chemistry》2006年第8期923-926,共4页结构化学（英文）

基　　金：This project was supported by the Innovation Foundation for College Students of Nankai University and the National Natural Science Foundation of China (50572040)

摘　　要：The title compound, a 1：1 molecular adduct of 3-nitrophthalic acid and 3-methyl- 4-nitropyridine N-oxide （PPOM）, has been synthesized and characterized by X-ray single-crystal structure analysis. It crystallizes in triclinic, space group PI with α = 7.6076（15）, b = 7.8180（16）, c = 14.546（3）A, α= 93.90（3）, β = 97.21（3）, γ= 114.43（3）°, C14H1N3O9, Mr = 365.26, Z = 2, V = 774.6（3） A^3, Dc = 1.566 g/m^3,μ（MoKa） = 0.134 mm^-1, F（000） = 376, R = 0.0538 and wR = 0. 1460 for 885 observed reflections （1 〉 2σ（I））. The protons of the carbonylic acids in the molecule are not transferred and the O-H…O and C-H…O hydrogen bonds form zigzag chains in the molecule.The title compound, a 1：1 molecular adduct of 3-nitrophthalic acid and 3-methyl- 4-nitropyridine N-oxide （PPOM）, has been synthesized and characterized by X-ray single-crystal structure analysis. It crystallizes in triclinic, space group PI with α = 7.6076（15）, b = 7.8180（16）, c = 14.546（3）A, α= 93.90（3）, β = 97.21（3）, γ= 114.43（3）°, C14H1N3O9, Mr = 365.26, Z = 2, V = 774.6（3） A^3, Dc = 1.566 g/m^3,μ（MoKa） = 0.134 mm^-1, F（000） = 376, R = 0.0538 and wR = 0. 1460 for 885 observed reflections （1 〉 2σ（I））. The protons of the carbonylic acids in the molecule are not transferred and the O-H…O and C-H…O hydrogen bonds form zigzag chains in the molecule.

关 键 词：crystal structure SYNTHESIS 3-methyl-4-nitropyridine N-oxide ADDUCT 

分 类 号：O626.41[理学—有机化学]