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Crystal and molecular structure of 1-(3,5-dimethyl-2-furyl)-3-(p-tolyl) -prop-2-en-1-one

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Abstract

The structure of 1-(3,5-dimethyl-2-furyl)-3-(p-tolyl)-prop-2-en-1-one, C16H16O2 is determined by single-crystal x-ray diffractometry. Crystals are triclinic,\(P\bar 1\), a=7.381(7), b=8.871(5), c=10.745(13) Å, α=93.53(7), β=102.25(8),γ=95.43(7)°, V=682(1) Å3, Z=2, dcalc=1.170 g cm−3, λ (Cu Kα)=1.54178 Å,μ=5.697 cm−1, M=270.30, F(000)=256, R=0.077 for 1601 unique observed reflections. The trans-geometry of the C=C double bond, thes-cis-geometry of the C=C-C=O moiety, and thes-trans arrangement of the carbonyl and furane oxygen atoms are proved.

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Authors and Affiliations

  1. Institute of Crystallography, Academy of Sciences, Leninskii Pr. 59, 117333, Moscow, Russia

    Nina G. Furmanova, Natalya I. Sorokina & Valery I. Andrianov

  2. Department of Organic Chemistry, Polytechnic Institute, Splaiul Independentei 313, 77206, Bucharest, Rumania

    Ursula Bologa & Alexandru T. Balaban

Authors
  1. Nina G. Furmanova
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  2. Natalya I. Sorokina
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  3. Valery I. Andrianov
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  4. Ursula Bologa
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  5. Alexandru T. Balaban
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Furmanova, N.G., Sorokina, N.I., Andrianov, V.I. et al. Crystal and molecular structure of 1-(3,5-dimethyl-2-furyl)-3-(p-tolyl) -prop-2-en-1-one. Struct Chem 2, 651–654 (1991). https://doi.org/10.1007/BF00676827

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  • DOI: https://doi.org/10.1007/BF00676827

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