Structural study and Hirshfeld surface analysis of (Z)-4-(2-meth-oxy-benzyl-idene)-3-phenyl-isoxazol-5(4H)-one

(Z)-4-(2-甲氧基苄基亚甲基)-3-苯基异噁唑-5(4H)-酮的结构研究和Hirshfeld表面分析

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Abstract

The title compound, C(17)H(13)NO(3), adopts a Z configuration about the C=C bond. The isoxazole and meth-oxy-benzyl-idene 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-meth-oxy-benzyl-idene)-3-phenyl-isoxazol-5(4H)-one [Zhang et al. (2015 ▸). CrystEngComm, 17, 7316-7322].

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