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Anticancer agent development. 4. X-ray crystal structure and intermolecular crystal lattice interactions of methyltrans-4,5-dihydro-4-acetoxymethyl-5-(3,4,5-trimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)-3-furancarboxylate

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Abstract

The title compound, C25H26O10,M r=486.48, crystallized from methanol in the acentric space group P21,2121, witha=7.617(3),b, 12.703(3),c=24.408(3) Å,V=2362 Å3,D calc=1.37 g cm−3 andμ=0.66 cm−1 forZ=4. Least-squares refinement of 1417 observed [F o≥5σ(F o)] reflections led to the final agreement index ofR=0.044. The observed structure reveals atrans relationship for the 4-acetoxymethyl and 5-aryl substituents. The 4,5-dihydrofuran ring system assumes a slight envelope conformation. Several intermolecular van der Waals interactions of note occur in this compound.

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Authors and Affiliations

  1. Department of Pharmacognosy, School of Pharmacy, The University of Mississippi, 38677, University, Mississippi

    John R. Peterson

  2. Department of Chemistry, Northern Illinois University, 60115, DeKalb, Illinois

    David B. Horsley, James A. Brozik & Robin D. Rogers

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  1. John R. Peterson
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  2. David B. Horsley
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  3. James A. Brozik
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  4. Robin D. Rogers
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Peterson, J.R., Horsley, D.B., Brozik, J.A. et al. Anticancer agent development. 4. X-ray crystal structure and intermolecular crystal lattice interactions of methyltrans-4,5-dihydro-4-acetoxymethyl-5-(3,4,5-trimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)-3-furancarboxylate. Journal of Crystallographic and Spectroscopic Research 20, 47–52 (1990). https://doi.org/10.1007/BF01181674

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  • DOI: https://doi.org/10.1007/BF01181674

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