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X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione

Publication ,  Journal Article
Miller, RW; McPhail, AT; Gross, PM
Published in: Journal of the Chemical Society, Perkin Transactions 2
January 1, 1979

Single-crystal X-ray analyses of cis-cyclo-octane-1,5-diol (1) and cyclo-octane-1,5-dione (2) have established that the eight membered rings in both compounds adopt boat-chair conformations in the solid state. The observed geometries accord well with those derived by force-field methods. Monoclinic crystals of (1) belong to space group Cc, a = 9.119(4), b = 11.717(5), c = 8.118(4) Å, β = 108.35(5)°, Z = 4. Crystals of (2) are orthorhombic, space group P212121, a = 13.195(6), b = 11.425(5), c = 5.258(3) Å, Z = 4. Both crystal structures were solved by direct methods and refined by full-matrix least-squares calculations to R 0.035 for (1) and 0.078 for (2) over 740 and 850 statistically significant reflections, respectively, measured by diffractometer.

Duke Scholars

Published In

Journal of the Chemical Society, Perkin Transactions 2

DOI

ISSN

1472-779X

Publication Date

January 1, 1979

Issue

11

Start / End Page

1527 / 1531

Related Subject Headings

  • Organic Chemistry
 

Citation

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Miller, R. W., McPhail, A. T., & Gross, P. M. (1979). X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione. Journal of the Chemical Society, Perkin Transactions 2, (11), 1527–1531. https://doi.org/10.1039/P29790001527
Miller, R. W., A. T. McPhail, and P. M. Gross. “X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione.” Journal of the Chemical Society, Perkin Transactions 2, no. 11 (January 1, 1979): 1527–31. https://doi.org/10.1039/P29790001527.
Miller RW, McPhail AT, Gross PM. X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione. Journal of the Chemical Society, Perkin Transactions 2. 1979 Jan 1;(11):1527–31.
Miller, R. W., et al. “X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione.” Journal of the Chemical Society, Perkin Transactions 2, no. 11, Jan. 1979, pp. 1527–31. Scopus, doi:10.1039/P29790001527.
Miller RW, McPhail AT, Gross PM. X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione. Journal of the Chemical Society, Perkin Transactions 2. 1979 Jan 1;(11):1527–1531.

Published In

Journal of the Chemical Society, Perkin Transactions 2

DOI

ISSN

1472-779X

Publication Date

January 1, 1979

Issue

11

Start / End Page

1527 / 1531

Related Subject Headings

  • Organic Chemistry