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Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one and the keto-enol tautomer (Z)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-1-en-1-ol.

ABSTRACT: The title crystal structure is assembled from the superposition of two mol-ecular structures, (E)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one, C12H9ClOS2 (93%), and (Z)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-1-en-1-ol, C12H11ClOS2 (7%), 0.93C12H9ClOS2·0.07C12H11ClOS2. Both were obtained from the reaction of 3-methyl-thio-phene-2-carbaldehyde and 1-(5-chloro-thio-phen-2-yl)ethanone. In the extended structure of the major chalcone component, mol-ecules are linked by a combination of C-H?O/S, Cl?Cl, Cl?? and ?-? inter-actions, leading to a compact three-dimensional supra-molecular assembly.

SUBMITTER: Al-Refai M 

PROVIDER: S-EPMC7133035 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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Unexpected formation of a co-crystal containing the chalcone (<i>E</i>)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one and the keto-enol tautomer (<i>Z</i>)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-1-en-1-ol.

Al-Refai Mahmoud M   Ali Basem F BF   Geyer Armin A   Harms Klaus K   Marsch Michael M  

Acta crystallographica. Section E, Crystallographic communications 20200303 Pt 4

The title crystal structure is assembled from the superposition of two mol-ecular structures, (<i>E</i>)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one, C<sub>12</sub>H<sub>9</sub>ClOS<sub>2</sub> (93%), and (<i>Z</i>)-1-(5-chloro-thio-phen-2-yl)-3-(3-methyl-thio-phen-2-yl)prop-1-en-1-ol, C<sub>12</sub>H<sub>11</sub>ClOS<sub>2</sub> (7%), 0.93C<sub>12</sub>H<sub>9</sub>ClOS<sub>2</sub>·0.07C<sub>12</sub>H<sub>11</sub>ClOS<sub>2</sub>. Both were obtained from the reaction  ...[more]

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