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
Salorinne, K., & Lahtinen, T. (2015). 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, 71(5), 505-508. https://doi.org/10.1107/s2056989015007367
Julkaistu sarjassa
Acta Crystallographica Section E : Crystallographic CommunicationsPäivämäärä
2015Tekijänoikeudet
© 2015 the Authors. Published by International Union of Crystallography. This is an Open Access article under the terms of the Creative Commons Attribution Licence.
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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International Union of CrystallographyISSN Hae Julkaisufoorumista
2056-9890Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/24673400
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