Molecular and crystal structure of 5-amino-1H-[1,2,4]triazole-3-carboxylic acid derivatives
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I. Wawrzycka-Gorczyca
Abstract
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-acetylamino-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 π···π stacking interactions are observed.
© 2003 Oldenbourg Wissenschaftsverlag GmbH
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Articles in the same Issue
- Preparation and crystal structure of a new high-pressure phase (V0.5Re0.5)O2 with rutile-type structure
- Electron crystallography of zeolites. 1. Projected crystal structures of ZSM-5 and ZSM-11
- The structures of ZrNCl, TiOCl and AlOCl in the light of the Zintl-Klemm concept
- Single crystal neutron diffraction study of the phase transition in (NH4)H5(PO4)2
- The crystal structure of Er(HPO4)(NO3)·3 H2O: ab initio determination from X-ray powder diffraction data
- Molecular and crystal structure of 5-amino-1H-[1,2,4]triazole-3-carboxylic acid derivatives
- Synthesis and structural investigation of (4-methoxy-phenyl)-[4-(4-methoxy-phenyl)-1-(1-phenylethylidene-amino)-2-thioxo-1,2-dihydro-pyrimidin-5-yl]-methanone
- Structural and spectral studies of N-(3-hydroxypyridine-2-yl)salicylideneimine and N-(3-hydroxypyridine-2-yl)-5-bromosalicylideneimine and their dimethyltin(IV) complexes
- Synthesis, crystal structure and electrochemical behaviour of [2,6-bis(3,5-dimethylpyrazolyl)pyridine](dithiocyanato)cobalt(II)
- Crystal structure and properties of L-arginine diphosphate
- The (3 + 1)-dimensional superspace description of the commensurately modulated structure of p-chlorobenzamide (α-form) and its relation to the γ-form
- Books Received
