Synthesis and Crystal Structure of 4-Salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole
The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crystal structure (C21H16N4O3, Mr = 372.38) belongs to monoclinic system, space group P21/n with a = 10.507(2), b = 16.878(3), c = 11.199(2) ?, β = 110.86(3)(, V = 1855.9(6) ?3, Z = 4, Dc = 1.333 g/cm3, F(000) = 776, μ(MoKα) = 0.092 mm-1, R = 0.0552 and wR = 0.1095 for 1920 reflections ( I > 2.0σ(I) ). The analytical results of crystal structure show that there are two different non-covalent interactions in the compound. One is hydrogen bond, and the other (-( stacking interaction. These two types of non-covalent interactions play an important role in the packing of crystal.
作 者： 吉保明 杜明霞 朱玉 王洋 作者单位： 吉保明(Department of Chemistry, Luoyang Teacher's College, Luoyang 471022)杜明霞,朱玉(Department of Chemistry, Zhengzhou University, Zhengzhou 450052, China)
王洋(School of Pharmacy, Fudan University, Shanghai 200032, China)
刊 名： 结构化学 ISTIC SCI PKU 英文刊名： CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 年，卷(期)： 2002 21(3) 分类号： O64 关键词： triazole hydrogen bond crystal structure stacking interaction