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

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

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Resumen

  • 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.]

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autores

  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    jelen restrepo
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    julia bruno colmenarez
  • http://vivoweb.org/ontology/core#FacultyMember
    Luis Eduardo Seijas Ruiz
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    miguel morales toyo
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    reinaldo atencio
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    ysaias j alvarado

Edición

  • 43

fecha de publicación

  • 2013-10-1

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Identificador de objeto digital (DOI)

  • https://doi.org/10.1007/s10870-013-0455-5

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