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

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), C(11)H(11)NO(2)S, and ethyl (E)-2-cyano-3-(thio­phen-2-yl)acrylate (2), C(10)H(9)NO(2)S, are reported. Derivative 1 crystallize...

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Autores principales: Al-Refai, Mahmoud, Ali, Basem F., Said, Ala’a B., Geyer, Armin, Marsch, Michael, Harms, Klaus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727058/
https://www.ncbi.nlm.nih.gov/pubmed/31523466
http://dx.doi.org/10.1107/S2056989019011435
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author Al-Refai, Mahmoud
Ali, Basem F.
Said, Ala’a B.
Geyer, Armin
Marsch, Michael
Harms, Klaus
author_facet Al-Refai, Mahmoud
Ali, Basem F.
Said, Ala’a B.
Geyer, Armin
Marsch, Michael
Harms, Klaus
author_sort Al-Refai, Mahmoud
collection PubMed
description 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), C(11)H(11)NO(2)S, and ethyl (E)-2-cyano-3-(thio­phen-2-yl)acrylate (2), C(10)H(9)NO(2)S, 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 ▸). Acta Cryst. E73, 1287–1289].
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spelling pubmed-67270582019-09-13 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 Al-Refai, Mahmoud Ali, Basem F. Said, Ala’a B. Geyer, Armin Marsch, Michael Harms, Klaus Acta Crystallogr E Crystallogr Commun Research Communications 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), C(11)H(11)NO(2)S, and ethyl (E)-2-cyano-3-(thio­phen-2-yl)acrylate (2), C(10)H(9)NO(2)S, 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 ▸). Acta Cryst. E73, 1287–1289]. International Union of Crystallography 2019-08-23 /pmc/articles/PMC6727058/ /pubmed/31523466 http://dx.doi.org/10.1107/S2056989019011435 Text en © Al-Refai et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Al-Refai, Mahmoud
Ali, Basem F.
Said, Ala’a B.
Geyer, Armin
Marsch, Michael
Harms, Klaus
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727058/
https://www.ncbi.nlm.nih.gov/pubmed/31523466
http://dx.doi.org/10.1107/S2056989019011435
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