Crystal structure of 1-(2-hydroxyphenyl)-3-(2-thiomethoxyphenyl)-1,3-propanedione,C16H14O3S |
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| Authors: | U Casellato R Graziani G Maccarone R R Purello M Vidali |
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| Institution: | (1) Istituto di Chimica e Tecnologia dei Radioelementi C.N.R., Padova, Italy;(2) Dipartimento di Chimica Inorganica, Metallorganica e Analitica, Università di Padova, Italy;(3) Dipartimento di Scienze Chimiche, Università di Catania, Italy |
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| Abstract: | The crystal structure of the enol tautomer of 1-(2-hydroxphenyl)-3-(2-thiomethoxyphenyl)-1,3-propanedione C16H14O3S, was determined from X-ray crystallography. The finalR value was 5.99% based on 1945 unique observed reflections. The crystals are monoclinic,P21/c, witha=7.406(6),b=8.585(6),c=21.992(4) Å, =93.42(2),D
c
=1.36 g cm–3 forz=4. The compound is present in the solid state as a unique enol tautomer.There are two short, intramolecular O O contacts of 2.553(4) and 2.577(4) Å. Both the phenol and the enol H atoms are asymmetrically located with respect to the O atoms. |
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