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4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate

The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendic...

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Detalles Bibliográficos
Autores principales: Ouahrouch, Abdelaaziz, Lazrek, Hassan B., Taourirte, Moha, El Azhari, Mohamed, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213479/
https://www.ncbi.nlm.nih.gov/pubmed/22091058
http://dx.doi.org/10.1107/S1600536811027280
Descripción
Sumario:The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)°, respectively. The stereochemical arrangement of the butanol chain, with a C—C—C—C torsion angle of 178.34 (19)°, corresponds to an anti­periplanar conformation. However the position of the –OH group is split into two very close [O—O = 0.810(3) Å] positions of equal occupancy. The crystal structure features O—H⋯N and O—H⋯O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position.