5-氨基-1-(4-甲氧基苯甲酰基)-3-甲基吡唑中的氢键环链以及5-氨基-3-甲基-1-(2-硝基苯甲酰基)吡唑中的三维氢键骨架。
A hydrogen-bonded chain of rings in 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole and a three-dimensional hydrogen-bonded framework in 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole.
作者信息
Quiroga Jairo, Portilla Jaime, Low John N, Cobo Justo, Glidewell Christopher
机构信息
Grupo de Investigación de Compuestos Heterociclícos, Departamento de Química, Universidad de Valle, AA 25360, Colombia.
出版信息
Acta Crystallogr C. 2008 Feb;64(Pt 2):o76-9. doi: 10.1107/S0108270107067522. Epub 2008 Jan 22.
The molecules of 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole, C(12)H(13)N(3)O(2), (I), and 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole, C(11)H(10)N(4)O(3), (II), both contain intramolecular N-H...O hydrogen bonds. The molecules of (I) are linked into a chain of rings by a combination of N-H...N and N-H...pi(arene) hydrogen bonds, while those of (II) are linked into a three-dimensional framework structure by N-H...N and C-H...O hydrogen bonds.
5-氨基-1-(4-甲氧基苯甲酰基)-3-甲基吡唑（C₁₂H₁₃N₃O₂），（I），和5-氨基-3-甲基-1-(2-硝基苯甲酰基)吡唑（C₁₁H₁₀N₄O₃），（II）的分子均含有分子内N-H...O氢键。（I）的分子通过N-H...N和N-H...π(芳烃)氢键的组合连接成环链，而（II）的分子通过N-H...N和C-H...O氢键连接成三维骨架结构。
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