N3-[(E)-Morpholin-4-ylmethylidene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate

In the title compound, C13H16N6O·H2O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80 (5)°. The N atom of the amino group adopts a trigonal–pyramidal configuration. Conjugation in the amidine N=C—N fragment result...

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Published inActa crystallographica. Section E, Structure reports online Vol. 66; no. 12; pp. o3247 - o3248
Main Authors Z. A. Starikova, V. M. Chernyshev, V. V. Ivanov, A. V. Astakhov
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.12.2010
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Summary:In the title compound, C13H16N6O·H2O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80 (5)°. The N atom of the amino group adopts a trigonal–pyramidal configuration. Conjugation in the amidine N=C—N fragment results in sufficient shortening of the formal single bond. In the crystal, intermolecular N—H...O and O—H...N hydrogen bonds link molecules into double layers parallel to the bc plane.
ISSN:1600-5368
1600-5368
DOI:10.1107/S160053681004729X