Crystal structure of 2-amino-3-methylpyridinium ortho-phthalate

被引:36
作者
Jin, ZM
Pan, YJ [1 ]
Hu, ML
Liang, S
机构
[1] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China
[2] Zhejiang Univ Technol, Coll Pharmaceut Sci, Hangzhou 310014, Peoples R China
[3] Wenzhou Normal Coll, Dept Chem, Zhejiang 325003, Peoples R China
[4] Hangzhou Teacher Coll, Hangzhou 310012, Peoples R China
关键词
ortho-phthalic acid; 2-amino-3-methylpyridine resonance; pi-pi interaction;
D O I
10.1023/A:1014391031842
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
A new crystal of 2-amino-3-methylpytidinium ortho-phthalate has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group P2(1)/c with a = 11.015(2) Angstrom, b = 11.057(2) Angstrom, c = 15.767(2) Angstrom, alpha = 90.00degrees beta = 96.220(10)degrees, gamma = 90.00degrees, V = 1909.0(5) Angstrom(3), Z = 4. In the cell unit, the phthalate anion is linked with two pyridinium cations by NHO hydrogen bond on both sites of annular and exocyclic nitrogen atoms. The two pyridinium cations are arranged in a face-to-face pattern with a dihedral angle of 7.3degrees and a shortest aspectant distance of 3.4(1) Angstrom between them, indicating the existence of pi-pi interaction. The C(5) atom is an electron donating center. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. In the cell unit, two entities of pyridinium cation are aligned with each other in a face-to-face manner of electron receiving to donating center.
引用
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页码:191 / 195
页数:5
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