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
Full Text URL :
Record number :
2622093
Link To Document :
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