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Synthesis, characterization, crystal structure and supra-molecularity of ethyl (E)-2-cyano-3-(3-methyl-thio-phen-2-yl)acrylate and a new polymorph of ethyl (E)-2-cyano-3-(thio-phen-2-yl)acrylate.

ABSTRACT: The synthesis, crystal structure and structural motif of two thio-phene-based cyano-acrylate derivatives, namely, ethyl (E)-2-cyano-3-(3-methyl-thio-phen-2-yl)acrylate (1), C11H11NO2S, and ethyl (E)-2-cyano-3-(thio-phen-2-yl)acrylate (2), C10H9NO2S, are reported. Derivative 1 crystallized with two independent molecules in the asymmetric unit, and derivative 2 represents a new monoclinic (C2/m) polymorph. The mol-ecular conformations of 1 and the two polymorphs of 2 are very similar, as all non-H atoms are planar except for the methyl of the ethyl groups. The inter-molecular inter-actions and crystal packing of 1 and 2 are described and compared with that of the reported monoclinic (C2/m) polymorph of derivative 2 [Castro Agudelo et al. (2017 ?). Acta Cryst. E73, 1287-1289].

SUBMITTER: Al-Refai M 

PROVIDER: S-EPMC6727058 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

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Synthesis, characterization, crystal structure and supra-molecularity of ethyl (<i>E</i>)-2-cyano-3-(3-methyl-thio-phen-2-yl)acrylate and a new polymorph of ethyl (<i>E</i>)-2-cyano-3-(thio-phen-2-yl)acrylate.

Al-Refai Mahmoud M   Ali Basem F BF   Said Ala'a B AB   Geyer Armin A   Marsch Michael M   Harms Klaus K  

Acta crystallographica. Section E, Crystallographic communications 20190823 Pt 9

The synthesis, crystal structure and structural motif of two thio-phene-based cyano-acrylate derivatives, namely, ethyl (<i>E</i>)-2-cyano-3-(3-methyl-thio-phen-2-yl)acrylate (<b>1</b>), C<sub>11</sub>H<sub>11</sub>NO<sub>2</sub>S, and ethyl (<i>E</i>)-2-cyano-3-(thio-phen-2-yl)acrylate (<b>2</b>), C<sub>10</sub>H<sub>9</sub>NO<sub>2</sub>S, are reported. Derivative <b>1</b> crystallized with two independent molecules in the asymmetric unit, and derivative <b>2</b> represents a new monoclinic (<  ...[more]

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