Crystal structure of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxa­diazol-3-yl)phen­oxy]prop­yl}-N-(11-hy­droxy­undec­yl)isoxazole-3-carboxamide hemihydrate

Acta Crystallographica Section E: Crystallographic Communications

Salorinne, K.²  Lahtinen, T.³ 

[1] , PO Box 35, 40014 JYU, Finland;Department of Chemistry, Nanoscience Center, University of Jyväskylä

关键词: CRYSTAL STRUCTURE;    ANTIVIRAL;    WIN DERIVATIVE;    ISOXAZOLE;    OXADIAZOLE;   

DOI  :  10.1107/S2056989015007367

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C29H42N4O5·0.5H2O, comprises four structural units. A flexible prop­yloxy unit in a gauche conformation, with a –C(H2)—C(H2)—C(H2)—O– torsion angle of −64.32 (18)°, connects an isoxazole ring and an approximately planar phenyl­oxa­diazole ring system [with a maxixmum devation of 0.061 (2) Å], which are oriented almost parallel to one another with a dihedral angle of 10.75 (7)°. Furthermore, a C11-alkyl chain with a terminal hy­droxy group links to the 3-position of the isoxazole ring via an amide bond. In the crystal, a half-occupancy solvent water mol­ecule connects to a neighbouring mol­ecule via an inter­molecular O—H⋯O(water) hydrogen bond to the C11-alkyl chain hy­droxy group.

【 授权许可】

CC BY