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Open Access 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

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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.
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Document Type: Research Article

Affiliations: Department of Chemistry, Nanoscience Center, University of Jyväskylä, PO Box 35, 40014 JYU, Finland

Publication date: January 1, 2015

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