Synthesis, crystal structure analysis, small cluster geometries and energy study of (E)-Ethyl-4-(2-(thiofen-2-ylmethylene)hydrazinyl)benzoate

Miguel Morales-Toyo, Ysaías J. Alvarado, Jelen Restrepo, Luis Seijas, Reinaldo Atencio, Julia Bruno-Colmenarez

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Derivatives hydrazone are attributed interesting pharmacological properties. The compound under study (E)-ethyl 4-(2-(thiofen-2-ylmethylene) hydrazinyl)benzoate (1), crystallized from ethanol as translucent light yellow thin plates. They are monoclinic, space group P21/c, with unit cell parameters a = 8.846(6), b = 20.734(14), c = 7.583(5) Å, β = 95.743(13), V = 1383.8(16) Å3. Three hydrogen bonds and two intermolecular π-interaction perpendiculars to the hydrogen bonds patterns are observed in the crystal structure. A detailed description of these interactions will be presented. Also, semiempirical calculations (PM6) show the formation in the gas phase of a supramolecular chain, emulating the C(8) graph set seen in the crystal structure of the compound. Graphical Abstract: The synthesis and crystal structure of the title compound, C14H 14N2O2S, is reported.[Figure not available: see fulltext.]

Original languageEnglish (US)
Pages (from-to)544-549
Number of pages6
JournalJournal of Chemical Crystallography
Volume43
Issue number10
DOIs
StatePublished - Oct 2013
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • Condensed Matter Physics

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