Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2009 Jun 6;65(Pt 7):o1509-10.
doi: 10.1107/S1600536809020947.

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

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

Luis Astudillo et al. Acta Crystallogr Sect E Struct Rep Online. .

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.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
An ORTEP-3 (Farrugia, 1997) view of the two molecules in the asymmetric unit of the title compound with the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. H atoms are drawn as small spheres of arbitrary radii and intramolecular hydrogen bonds indicated by dashed lines.
Fig. 2.
Fig. 2.
The formation of the title compound.

References

    1. Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst.32, 115–119.
    1. Brown, L. J., Spurr, I. B., Kemp, S. C., Camp, N. P., Gibson, K. R. & Brown, R. C. D. (2008). Org. Lett.10, 2489–2492. - PubMed
    1. Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354–1358.
    1. Farrugia, L. J. (1997). J. Appl. Cryst.30, 565.
    1. Farrugia, L. J. (1999). J. Appl. Cryst.32, 837–838.