AI Article Synopsis
- The title compound, C29H42N4O5·0.5H2O, features a complex structure made up of four main units: a prop-yloxy unit, an isoxazole ring, a phenyl-oxa-diazole ring system, and a C11-alkyl chain with a hydroxyl group.
- The prop-yloxy unit connects the isoxazole and phenyl-oxa-diazole rings, which are nearly parallel to each other with a small dihedral angle of 10.75°.
- Additionally, a half-water molecule participates in hydrogen bonding with the hydroxyl group of the C11-alkyl chain, enhancing the compound's overall stability in the crystal structure.
Article Abstract
The title compound, C29H42N4O5·0.5H2O, comprises four structural units. A flexible prop-yloxy 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 phenyl-oxa-diazole 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 hy-droxy group links to the 3-position of the isoxazole ring via an amide bond. In the crystal, a half-occupancy solvent water mol-ecule connects to a neighbouring mol-ecule via an inter-molecular O-H⋯O(water) hydrogen bond to the C11-alkyl chain hy-droxy group.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420136 | PMC |
| http://dx.doi.org/10.1107/S2056989015007367 | DOI Listing |
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