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1-(3-Phenyl-isoxazol-5-yl)cyclo-hexane-1,2-diol.

ABSTRACT: In the title compound, C(15)H(17)NO(3), there are two mol-ecules in the asymmetric unit wherein the isoxazole rings make dihedral angles of 16.16?(15) and 16.79?(13)° with the benzene rings, and the cyclo-hexane rings adopt chair conformations. In both mol-ecules, the hydroxyl groups of the diol fragments are cis oriented, the O-C-C-O torsion angles being 60.76?(12) and -55.86?(11)°. The two mol-ecules are linked by a strong O-H?N hydrogen bond and the crystal packing is stabilized by one O-H?N and two O-H?O hydrogen bonds. An intra-molecular O-H?O hydrogen bond is observed in one of the mol-ecules.

SUBMITTER: Astudillo L

PROVIDER: S-EPMC2969214 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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1-(3-Phenyl-isoxazol-5-yl)cyclo-hexane-1,2-diol.

Astudillo Luis L Brito Iván I Vallejos Gabriel G Gutíerrez Margarita M López-Rodríguez Matías M

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

In the title compound, C(15)H(17)NO(3), there are two mol-ecules in the asymmetric unit wherein the isoxazole rings make dihedral angles of 16.16 (15) and 16.79 (13)° with the benzene rings, and the cyclo-hexane rings adopt chair conformations. In both mol-ecules, the hydroxyl groups of the diol fragments are cis oriented, the O-C-C-O torsion angles being 60.76 (12) and -55.86 (11)°. The two mol-ecules are linked by a strong O-H⋯N hydrogen bond and the crystal packing is stabilized by one O-H⋯N ...[more]

PMID: 21582805

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