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

被引:2
作者
Ouahrouch, Abdelaaziz [2 ]
Lazrek, Hassan B. [3 ]
Taourirte, Moha [2 ]
El Azhari, Mohamed [1 ]
Saadi, Mohamed [4 ]
El Ammari, Lahcen [4 ]
机构
[1] Fac Sci & Tech Gueliz, Lab Matiere Condensee & Nanostruct, Marrakech, Morocco
[2] Fac Sci & Tech Gueliz, Lab Chim Bioorgan & Macromol, Marrakech, Morocco
[3] Fac Sci Semlalia, Unite Chim Biomol & Med, Marrakech, Morocco
[4] Univ Mohammed V Agdal, Lab Chim Solide Appl, Fac Sci, Rabat, Morocco
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
关键词
CLICK CHEMISTRY; INHIBITORS; ANALOGS; DESIGN;
D O I
10.1107/S1600536811027280
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C21H21N5O2 center dot 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)degrees 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)degrees, respectively. The stereochemical arrangement of the butanol chain, with a C-C-CC torsion angle of 178.34 (19)degrees, corresponds to an anti-periplanar conformation. However the position of the -OH group is split into two very close [O-O = 0.810(3) angstrom] positions of equal occupancy. The crystal structure features O-H center dot center dot center dot N and O-H center dot center dot center dot O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position.
引用
收藏
页码:O2029 / U444
页数:12
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