N-[(E)-Quinolin-2-yl­methyl­idene]-1,2,4-triazol-4-amine hemihydrate

The title hemihydrate, C(12)H(9)N(5)·0.5H(2)O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base mol­ecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring...

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Detalles Bibliográficos
Autores principales: Shahri, Nurulizzatul Ningsheh M., Omar Ali, Nur Halilatul Sadiqin, Sheikh Abdul Hamid, Malai Haniti, Mirza, Aminul Huq, Usman, Anwar, Hoq, Md Rejaul, Karim, Mohammad R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462182/
https://www.ncbi.nlm.nih.gov/pubmed/36340830
http://dx.doi.org/10.1107/S2414314620001340
Descripción
Sumario:The title hemihydrate, C(12)H(9)N(5)·0.5H(2)O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base mol­ecule 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 mol­ecule bridges two Schiff base mol­ecules via O—H⋯N hydrogen bonds. The Schiff base mol­ecules are inter­connected by π–π stacking inter­actions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [1 [Image: see text] 0]. [Image: see text]

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