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: Structure Reports Online, ISSN: 1600-5368, Vol: 71, Issue: 5, Page: 505-508
2015
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Article Description
The title compound, CHNO·0.5HO, comprises four structural units. A flexible propyloxy unit in a gauche conformation, with a - C(H) - C(H) - C(H) - 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 C-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 C-alkyl chain hydroxy group.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84928159498&origin=inward; http://dx.doi.org/10.1107/s2056989015007367; http://www.ncbi.nlm.nih.gov/pubmed/25995867; http://scripts.iucr.org/cgi-bin/paper?S2056989015007367; http://journals.iucr.org/e/issues/2015/05/00/lh5758/lh5758.pdf; https://journals.iucr.org/paper?S2056989015007367; https://dx.doi.org/10.1107/s2056989015007367; https://journals.iucr.org/e/issues/2015/05/00/lh5758/index.html
International Union of Crystallography (IUCr)
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