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对羟基苯甲酸六次甲基四胺加合物的晶体结构

CRYSTAL STRUCTURE OF COMPLEX INVOLVING p-HYDROXYBENZOIC ACID AND HEXAMETHYLENETETRAMINE
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摘要 用X射线单晶衍射试验方法测定了对羟基苯甲酸六次甲基四胺加合物(CH2)6N4.(p-HOC6H4CO2H)的晶体结构.晶体属单斜晶系,P21/n空间群,a=0.600 1(4)nm,b=1.184 7(9)nm,c=1.890 6(1)nm,β=93.61(5)°,Z=4,V=1.341 6(2)nm3,Dc=1.378 g.cm-3,μ(MoKα)=0.071 mm-1,F(000)=592,对2 341个独立衍射点的最终偏离因子R1=0.040 4.在标题化合物的晶体结构中独立的对羟基苯甲酸分子和六次甲基四胺分子组交错排列,借助多种氢键形式形成三维氢键网络结构,其中弱氢键扮演着重要的角色. A new complex, （CH2）6 N4·（p-HOC6 H4 CO2 H） is prepared and characterized by X-ray crystallography. Crystal data： a=0.6001（4）nm,b=1.184 7（9）nm,c=1.890 6（1）nm,β=93.61（5）°,Z=4,V=1.341 6（2）nm^3,Dc=1.378 g·cm^-3,μ（MoKα）=0.071 mm-1,F（000）=592 and R=0.0404 for 2 341 independent reflections. In the crystal structure of the title compound, the independent p-hydroxybenzoic acid and hexamethylenetetramine molecules are arranged alternately and constructed the three-dimensional hydrogen-bonded network by hydrogen bonds. The weak hydrogen bonds play an important role in the structure of the compound.
作者 杨云霞 杨媛 李奇
机构地区 北京师范大学化学学院
出处 《北京师范大学学报（自然科学版）》 CAS CSCD 北大核心 2006年第2期180-183,共4页 Journal of Beijing Normal University(Natural Science)
基金 国家自然科学基金资助项目(20571012) 北京市自然科学基金资助项目(2042013)
关键词 对羟基苯甲酸分子 六次甲基四胺 氢键 晶体结构 p-hydroxybenzoic acid hexamethylenetetramine, hydrogen bond crystal structure
分类号 O625.14 [理学—有机化学] O723 [理学—晶体学]
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参考文献20

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北京师范大学学报（自然科学版）
2006年 第2期

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