Molecular and crystal structure of 5-amino-1H-[1,2,4]triazole-3-carboxylic acid derivatives

被引：3
|
作者：
Wawrzycka-Gorczyca, I
Rzeszotarska, B
Dzygiel, A
Masiukiewicz, E
Koziol, AE [1 ]
机构：
[1] Marie Curie Sklodowska Univ, Fac Chem, PL-20031 Lublin, Poland
[2] Univ Opole, Inst Chem, PL-45052 Opole, Poland
来源：
ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 2003年 / 218卷 / 07期
关键词：
D O I：
10.1524/zkri.218.7.480.20717
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The analysis of molecular structures of three derivatives: 5-amino-3-carbomethoxy-1-methyl-1H-[1,2,4]-triazole (1), 1-acetyl-5-amino-3-carbomethoxy-1H-[1,2,4]-triazole (2) and 5-acetylanuno-3-carbomethoxy-1-methyl-1H-[1,2,4]-triazole (3) indicate the sensitivity of the N2-N1-C5 fragment of the triazole ring to the substitution. Molecular conformations are influenced by several intra- and intermolecular contacts. In all structures very extensive N-H...N/O and C-H-(methyl)...O/N net of secondary interactions is formed. This kind of interactions is common in crystal structures which are proton-deficient and for this reason various types of multi-point interactions are forced. Besides, triazole pi...pi stacking interactions are observed.
引用
收藏
页码：480 / 487
页数：8
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