JOURNAL ARTICLE

5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole

Bing LiuJoão P. C. ToméLuı́s Cunha-SilvaFilipe A. Almeida Paz

Year: 2012 Journal:   Acta Crystallographica Section E Structure Reports Online Vol: 68 (9)Pages: o2700-o2701   Publisher: International Union of Crystallography

Abstract

The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol-ecules. Each mol-ecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N-H⋯N hydrogen-bond inter-actions. Individual mol-ecules are arranged into supra-molecular zigzag chains running parallel to [001] by way of the strongest N-H⋯N inter-actions. Adjacent chains are inter-connected by rather long (D⋯A distances range from ca 3.00 to 3.03 Å) but highly directional (inter-action angles above ca 173°) hydrogen bonds forming a supra-molecular layer in the bc plane.

Keywords:
Zigzag Dihedral angle Hydrogen bond Chemistry Crystallography Triazole 1,2,4-Triazole Unit (ring theory) Crystal structure Bioinformatics Crystal (programming language) Stereochemistry Molecule Mathematics Computer science Medicinal chemistry Geometry Biology

Metrics

3
Cited By
0.00
FWCI (Field Weighted Citation Impact)
11
Refs
0.14
Citation Normalized Percentile
Is in top 1%
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Citation History

Topics

Synthesis and Characterization of Heterocyclic Compounds
Physical Sciences →  Chemistry →  Organic Chemistry
Synthesis and Reactivity of Heterocycles
Physical Sciences →  Chemistry →  Organic Chemistry
Crystal structures of chemical compounds
Physical Sciences →  Chemistry →  Inorganic Chemistry

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