Crystal Structure of 4-Isonicotinoyl Coumarin

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  • IVANOVA B. B.
    Institut für Umweltforschung, Universität Dortmund Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum
  • NIKOLOVA R. D.
    University of Sofia “St. Kl. Ohridsky”, Department of Organic Chemistry
  • ZAREVA S.
    University of Sofia “St. Kl. Ohridsky”, Department of Analytical Chemistry
  • MAYER-FIGGE H.
    Institut für Umweltforschung, Universität Dortmund
  • SHELDRICK W. S.
    Institut für Umweltforschung, Universität Dortmund
  • SPITELLER M.
    Institut für Umweltforschung, Universität Dortmund

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Description

The structure of 4-isonicotinoylcoumarin was determine by X-ray crystallography. A symmetry operation (-x+2, -y+1, -z) generates the whole molecule. The compound crystallized in a monoclinic system, and was characterized thus: P21/c, a = 7.8507(16), b = 16.361(3), c = 9.826(2)Å, β = 107.13(3)°, Z = 4, V = 1206.2(4)Å3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.0568 and wR2 = 0.0926.

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