Title of article :
Synthesis, characterization, crystal structure and supramolecularity of ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate
Author/Authors :
Al-Refai, Mahmoud Department of Chemistry - Al al-Bayt University, Jordan , Ali, Basem F. Department of Chemistry - Al al-Bayt University, Jordan , Said, Ala'a B. Department of Chemistry - Al al-Bayt University, Jordan , Geyer, Armin Faculty of Chemistry - Philipps University Marburg, Germany , Marsch, Michael Faculty of Chemistry - Philipps University Marburg, Germany , Harms, Klaus Faculty of Chemistry - Philipps University Marburg, Germany
Abstract :
The synthesis, crystal structure and structural motif of two thiophene-based cyanoacrylate derivatives, namely, ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate (1), C11H11NO2S, and ethyl (E)-2-cyano-3-(thiophen-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 molecular 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 intermolecular interactions 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[Castro Agudelo, B., Cárdenas, J. C., Macías, M. A., Ochoa-Puentes, C. & Sierra, C. A. (2017). Acta Cryst. E73, 1287-1289.]). Acta Cryst. E73, 1287–1289].
Keywords :
crystal structure , thiophene-based cyanoacrylates , polymorph , crystal supramolecularity
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
