Abstract
By comparing experimentally determined dipole moments with those derived from vector-addition and semiempirical computation using MNDO and AM 1 approximations the conformations of 4- and 5-acetylpyrimidines were found to be close to planar, while that of 2-acetylpyrimidine exhibited a torsion angle of ∼90°.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1387–1390, October, 1992.
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Mikhaleva, M.A., Beregovaya, I.V. & Mamaev, V.P. Dipole moments and molecular conformations of acetylpyrimidines. Chem Heterocycl Compd 28, 1182–1184 (1992). https://doi.org/10.1007/BF00529584
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DOI: https://doi.org/10.1007/BF00529584