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

页码：480 / 487

页数：8

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