Abstract
The crystal structure of 1-hydroxy-2,3-dicarbomethoxy-1,3-cycloheptadiene has been determined from three-dimensional counter data, and refined by full-matrix least-squares techniques. The crystals belong to the triclinic space groupP¯1, witha = 10.721(7),b = 8.628(6),c = 6.214(6) Å, α = 91.65(5), β = 83.14(5), γ = 81.66(5) °, andD c = 1.33 g cm−3 forZ = 2. The finalR factor for 1385 observed reflections is 0.058. The compound exists in the enolic configuration.
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Atwood, J. L., Williams, M. D., Garner, R. H., and Cone, R. H. (1974)Acta Cryst. B30, 2066–2068.
Bartell, L. S. and Bonham, R. A. (1960)J. Chem. Phys. 32, 824–826.
Busing, W. R., Martin, K. O., and Levy, H. A. (1962) ORFLS. Report ORNL-TM-305, Oak Ridge National Laboratory, Oak Ridge, Tennessee.
Busing, W. R., Martin, K. O., and Levy, H. A. (1964) ORFFE. Report ORNL-TM-306, Oak Ridge National Laboratory, Oak Ridge, Tennessee.
Cromer, D. T. and Waber, J. T. (1965)Acta Cryst. 18, 104–109.
Germain, G. Main, P. and Woolfson, M. M. (1971)Acta Cryst. A27, 368–376.
Hirsch, J. A. and Cross, F. J. (1971)J. Org. Chem. 36, 955–960.
Hubbard, C. R., Quicksall, C. O. and Jacobson, R. A. (1971) ALFF. Report USAEC-IS-2625, Ames Laboratory, Ames, Iowa.
Huebner, C. F., Dorfman, L., Robinson, M. M., Donoghue, E., Pierson, W. G., and Strachan, P. (1963)J. Org. Chem. 28, 3134–3140.
Johnson, C. K. (1965). ORTEP. Report ORNL-3794, Revised, Oak Ridge National Laboratory, Oak Ridge, Tennessee.
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Hunter, W.E., Atwood, J.L., Lampert, B.A. et al. Crystal and molecular structure of 1-hydroxy-2,3-dicarbomethoxy-1,3-cycloheptadiene. Journal of Crystal and Molecular Structure 6, 291–298 (1976). https://doi.org/10.1007/BF01292366
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DOI: https://doi.org/10.1007/BF01292366