4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
نویسندگان
چکیده
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 anti-periplanar 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.
منابع مشابه
4-{[1-(4-Ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]diphenylmethyl}morpholine
The title compound, C(28)H(30)N(4)O(2), synthesized from 4-[1-(4-ethoxy-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]diphenyl-meth-an-ol and morpholine, consists of a subsituted triazolyl group and a morpholinyl group that crowd the aliphatic C atom of a diphenyl-methyl unit [C(triaz)-C-N(morph) = 110.1 (1)° and C(phen-yl)-C-C(phen-yl) = 103.9 (1)°]. The morpholine ring adopts a chair conformation.
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عنوان ژورنال:
دوره 67 شماره
صفحات -
تاریخ انتشار 2011