JOURNAL ARTICLE

3,5-Bis(4-methoxyphenyl)-1H-1,2,4-triazole monohydrate

Haiying WangJian‐Ping MaRu‐Qi HuangYu‐Bin Dong

Year: 2009 Journal:   Acta Crystallographica Section E Structure Reports Online Vol: 65 (6)Pages: o1260-o1260   Publisher: International Union of Crystallography

Abstract

In the title compound, C 16 H 15 N 3 O 2 ·H 2 O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong intermolecular O—H...N and N—H...O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to the a axis. Weak π—π interactions between the benzene rings of neighboring chains with a centroid–centroid distance of 3.893 (4) Å result in the formation of layers parallel to the ac plane.

Keywords:
Benzene Ring (chemistry) Dihedral angle Triazole Hydrogen bond Crystallography Chemistry 1,2,4-Triazole Crystal (programming language) Stereochemistry Molecule Medicinal chemistry Organic chemistry Computer science

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Citation History

Topics

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

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