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1-(3-p-Tolylisoxazol-5-yl)cyclohexanol
The title compound, C(16)H(19)NO(2), contains two molecules in the asymmetric unit. Each molecule is composed of three interconnected rings, two essentially planar rings, viz. the isoxazole and the methylbenzyl aromatic ring [maximum deviations of 0.0027 (13) and 0.0031 (19) Å from the isoxazole...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972041/ https://www.ncbi.nlm.nih.gov/pubmed/21578712 http://dx.doi.org/10.1107/S1600536809044900 |
Sumario: | The title compound, C(16)H(19)NO(2), contains two molecules in the asymmetric unit. Each molecule is composed of three interconnected rings, two essentially planar rings, viz. the isoxazole and the methylbenzyl aromatic ring [maximum deviations of 0.0027 (13) and 0.0031 (19) Å from the isoxazole and methylbenzyl ring planes, respectively, in the first molecule, 0.0018 (12) and 0.019 (2) Å in the second molecule], and one cyclohexanol ring having a chair conformation. Although the two molecules have similar bond distances and angles, they differ in the orientation of the cyclohexanol ring with respect to the tolylisoxazole unit. In the first molecule, the dihedral angle between the isoxazole and methylbenzyl rings is 22.03 (8)° and between the isoxazole and cyclohexanol rings is 30.15 (8)°. The corresponding values in the second molecule are 6.13 (10) and 88.44 (8)°, respectively. In the crystal, the molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, building up a zigzag chain parallel to the a axis. |
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