BIOMAT Database Logo BIOMAT Database Logo

Structural study and Hirshfeld surface analysis of (Z)-4-(2-meth-oxy-benzyl-idene)-3-phenyl-isoxazol-5(4H)-one. 2021

Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria.

The title compound, C17H13NO3, 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].

UI MeSH Term Description Entries

Related Publications

Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
(Z)-4-Benzyl-idene-3-methyl-isoxazol-5(4H)-one.
November 2012, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hy-droxy-benzyl-idene)-3-methyl-isoxazol-5(4H)-one.
July 2018, Acta crystallographica. Section E, Crystallographic communications,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
Erratum: Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hy-droxy-benzyl-idene)-3-methyl-isoxazol-5(4H)-one. Corrigendum.
August 2022, Acta crystallographica. Section E, Crystallographic communications,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
(Z)-4-[4-(Dimethyl-amino)benzyl-idene]-3-methyl-isoxazol-5(4H)-one.
November 2009, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
4-(2-Hydroxy-benzyl-idene)-3-methyl-isoxazol-5(4H)-one.
November 2009, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
4-[(3-Meth-oxy-anilino)methyl-idene]-2-phenyl-1,3-oxazol-5(4H)-one.
April 2012, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
(Z)-1-(2-Hy-droxy-eth-yl)-4-(2-meth-oxy-benzyl-idene)-2-methyl-1H-imidazol-5(4H)-one.
April 2013, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
(Z)-2-(2-Hy-droxy-4-meth-oxy-benzyl-idene)-1-benzofuran-3(2H)-one.
June 2011, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
3-(3-Meth-oxy-benzyl-idene)chroman-4-one.
April 2012, Acta crystallographica. Section E, Structure reports online,
Assia Benouatas, and Rima Laroum, and Noudjoud Hamdouni, and Wissame Zemamouche, and Abdelmadjid Debache, and Ali Boudjada
5-(Biphenyl-4-yl)-3-(3-meth-oxy-benzyl-idene)furan-2(3H)-one.
September 2011, Acta crystallographica. Section E, Structure reports online,
Copied contents to your clipboard!