• Title of article

    Structural study and Hirshfeld surface analysis of (Z)-4-(2-meth­­oxy­benzyl­­idene)-3-phenyl­isoxazol-5(4H)-one

  • Author/Authors

    Benouatas, Assia Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Laroum, Rima Laboratoire de Synthèse de Molécules - d'Intérêts Biologiques - Département de Chimie - Université Mentouri-Constantine, Algeria , Hamdouni, Noudjoud Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Zemamouche, Wissame Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Debache, Abdelmadjid Laboratoire de Synthèse de Molécules - d'Intérêts Biologiques - Département de Chimie - Université Mentouri-Constantine, Algeria , Boudjada, Ali Laboratoire de Synthèse de Molécules - d'Intérêts Biologiques - Département de Chimie - Université Mentouri-Constantine, Algeria

  • Pages
    10
  • From page
    1
  • To page
    10
  • Abstract
    The title compound, C17H13NO3, adopts a Z configuration about the C=C bond. The isoxazole and meth­oxy­benzyl­idene rings are almost coplanar with a dihedral angle of 9.63 (7)° between them. In contrast, the phenyl substituent is twisted significantly out of the plane of the oxazole ring, with the two rings inclined to each other by 46.22 (4)°. The crystal structure features C—H⋯O, C—H⋯N and C—H⋯π hydrogen bonds and π–π contacts. An analysis of the Hirshfeld surfaces points to the importance of H⋯H, H⋯C/C⋯H and H⋯O/O⋯H contacts. The included surface areas of the title compound were compared to those of the isomeric structure (Z)-4-(4-meth­oxy­benzyl­idene)-3-phenyl­isoxazol-5(4H)-one [Zhang et al. (2015[Zhang, X., Jiang, X., Li, Y., Lin, Z., Zhang, G. & Wu, Y. (2015). CrystEngComm, 17, 7316-7322.]). CrystEngComm, 17, 7316–7322].
  • Keywords
    crystal structure , meth­oxy­benzyl­idene , isoxazole , hydrogen bonding , π–π stacking , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2021
  • Record number

    2622093