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A structural investigation of ethyl 3′-methyl-6-methoxy-5′-oxo-1,2-cyclopent-3′-enonaphthalene-4′-acetate, C19H18O4

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Abstract

The crystal and molecular structure of the title compound has been determined from X-ray diffraction data using\(Cu - K\bar \alpha \) radiation. The compound crystallizes in the triclinic space group\(P\bar 1\) witha=8.351(1),b=9.348(2),c=10.736(2) Å,α=91.19(2),β=90.07(2), γ=110.18(1)°, andZ=2. The structure was solved by direct methods and a full-matrix least-squares refinement converged to a finalR=0.057 for 2522 unique reflections with I≥3σ(I). The cyclopentenonaphthalene ring system is planar (mean deviation, 0.028 Å). The molecules are held together by van der Waals forces. Averaged C-O bond lengths are: C(sp2)-O=1.357(18); C(sp3)-O=1.448(12); and C=O=1.210(14) Å.

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Authors and Affiliations

  1. Department of Chemistry, Baylor University, 76798, Waco, Texas

    D. F. Mullica, J. S. Belew & E. L. Sappenfleld

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  1. D. F. Mullica
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  2. J. S. Belew
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  3. E. L. Sappenfleld
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Mullica, D.F., Belew, J.S. & Sappenfleld, E.L. A structural investigation of ethyl 3′-methyl-6-methoxy-5′-oxo-1,2-cyclopent-3′-enonaphthalene-4′-acetate, C19H18O4 . Journal of Crystallographic and Spectroscopic Research 21, 309–312 (1991). https://doi.org/10.1007/BF01156082

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  • DOI: https://doi.org/10.1007/BF01156082

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