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N-[(E)-Quinolin-2-yl-methyl-idene]-1,2,4-triazol-4-amine hemihydrate.

ABSTRACT: The title hemihydrate, C12H9N5·0.5H2O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base mol-ecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol-ecule bridges two Schiff base mol-ecules via O-H⋯N hydrogen bonds. The Schiff base mol-ecules are inter-connected by π-π stacking inter-actions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [10].

SUBMITTER: Shahri NNM 

PROVIDER: S-EPMC9462182 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature

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The title hemihydrate, C<sub>12</sub>H<sub>9</sub>N<sub>5</sub>·0.5H<sub>2</sub>O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4<i>H</i>-1,2,4-triazole. The Schiff base mol-ecule adopts an <i>E</i> configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol-ecule bridges two Schiff base mol-ecules <i>via</i> O-H⋯N hydrogen bond  ...[more]

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