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Structure of 3-ethyl-6-phenyl-4-carbomethoxy-l·H-2-pyridone, an anti-tubercular metabolite

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Abstract

C15H15N03,Mr=257·28, rhombohedral, R≈3,a=40·510(4),c=4·5456(3)Å,V=6460(2)Å,Z=18,d c=1·1905(3)g/cm3, CuKα(λ=1·5418Å), μ= 6·5cm−1,F(000)=2448,T=295K, finalR(F)=0·091,wR=0·141 for 1425 significant reflections,I≤2·5 σ(I). The molecules are stacked along thec axis and are stabilized in the unit cell by N−…O and C−H…O types of hydrogen bonds. Centrosymmetrically related molecules form dimers about the centre of inversion, and the hydrogen bond pattern is reminiscent of pyrimidine-purine base pairing in nucleotides.

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Authors and Affiliations

  1. Department of Crystallography and Biophysics, University of Madras, Guindy Campus, 600025, Madras, India

    M Nethaji, Vasantha Pattabhi & E J Gabe

  2. Division of Chemistry, National Research Council, K1A OR6, Ottawa, Canada

    M Nethaji, Vasantha Pattabhi & E J Gabe

Authors
  1. M Nethaji
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  2. Vasantha Pattabhi
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  3. E J Gabe
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For correspondence

DCB contribution No. 724

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Nethaji, M., Pattabhi, V. & Gabe, E.J. Structure of 3-ethyl-6-phenyl-4-carbomethoxy-l·H-2-pyridone, an anti-tubercular metabolite. Proc. Indian Acad. Sci. (Chem. Sci.) 101, 19–24 (1989). https://doi.org/10.1007/BF02869381

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  • DOI: https://doi.org/10.1007/BF02869381

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