Crystal and molecular structure of 1-(3,5-dimethyl-2-furyl)-3-(p-tolyl) -prop-2-en-1-one |
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| Authors: | Nina G. Furmanova Natalya I. Sorokina Valery I. Andrianov Ursula Bologa Alexandru T. Balaban |
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| Affiliation: | (1) Institute of Crystallography, Academy of Sciences, Leninskii Pr. 59, 117333 Moscow, Russia;(2) Department of Organic Chemistry, Polytechnic Institute, Splaiul Independentei 313, 77206 Bucharest, Rumania |
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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, , a=7.381(7), b=8.871(5), c=10.745(13) Å,  =93.53(7),  =102.25(8), =95.43(7)°, V=682(1) Å3, Z=2, dcalc=1.170 g cm–3,  (Cu K)=1.54178 Å, =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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