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X-ray structural and conformational analyses of the erythrina alkaloids cocculine and coccutrine

Publication ,  Journal Article
McPhail, AT; Onan, KD; Gross, PM
Published in: Journal of the Chemical Society, Perkin Transactions 2
January 1, 1977

Crystal structures of the title alkaloids have been established by direct phase-determining methods and atomic parameters refined by full-matrix least-squares calculations to R 0.063 (1) and 0.078 (2) over 960 (1) and 1 342 (2) reflections from diffractometer measurements. The non-isomorphous crystals both belong to the orthorhombic system, space group P212 121, with Z = 4 in unit cells of dimensions: (1), a = 10.51(1), b = 15.87(1), c = 8.95(1) Å; and (2), a = 10.69(1), b = 16.65(1), c = 8.80(1) Å. Detailed comparisons of the ring conformations are made. Ring A approximates to a half-chair form and ring c to a form intermediate between half-chair and envelope in both compounds. Small variations observed in the ring B conformations are ascribed to different hydrogen-bonded arrangements in the crystals.

Duke Scholars

Published In

Journal of the Chemical Society, Perkin Transactions 2

DOI

ISSN

1472-779X

Publication Date

January 1, 1977

Issue

9

Start / End Page

1156 / 1161

Related Subject Headings

  • Organic Chemistry
 

Citation

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McPhail, A. T., Onan, K. D., & Gross, P. M. (1977). X-ray structural and conformational analyses of the erythrina alkaloids cocculine and coccutrine. Journal of the Chemical Society, Perkin Transactions 2, (9), 1156–1161. https://doi.org/10.1039/P29770001156
McPhail, A. T., K. D. Onan, and P. M. Gross. “X-ray structural and conformational analyses of the erythrina alkaloids cocculine and coccutrine.” Journal of the Chemical Society, Perkin Transactions 2, no. 9 (January 1, 1977): 1156–61. https://doi.org/10.1039/P29770001156.
McPhail AT, Onan KD, Gross PM. X-ray structural and conformational analyses of the erythrina alkaloids cocculine and coccutrine. Journal of the Chemical Society, Perkin Transactions 2. 1977 Jan 1;(9):1156–61.
McPhail, A. T., et al. “X-ray structural and conformational analyses of the erythrina alkaloids cocculine and coccutrine.” Journal of the Chemical Society, Perkin Transactions 2, no. 9, Jan. 1977, pp. 1156–61. Scopus, doi:10.1039/P29770001156.
McPhail AT, Onan KD, Gross PM. X-ray structural and conformational analyses of the erythrina alkaloids cocculine and coccutrine. Journal of the Chemical Society, Perkin Transactions 2. 1977 Jan 1;(9):1156–1161.

Published In

Journal of the Chemical Society, Perkin Transactions 2

DOI

ISSN

1472-779X

Publication Date

January 1, 1977

Issue

9

Start / End Page

1156 / 1161

Related Subject Headings

  • Organic Chemistry