Benouatas, Assia; Laroum, Rima; Hamdouni, Noudjoud; Zemamouche, Wissame; Debache, Abdelmadjid; Boudjada, Ali published the artcile< Structural study and Hirshfeld surface analysis of (Z)-4-(2-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one>, COA of Formula: C11H12O3, the main research area is methoxybenzylidene phenylisoxazolone hirshfeld surface hydrogen bond crystal structure; Hirshfeld surface analysis; crystal structure; hydrogen bonding; isoxazole; methoxybenzylidene; π–π stacking.
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 Ph 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 anal. 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). CrystEngComm, 17, 7316-7322].
Acta Crystallographica, Section E: Crystallographic Communications published new progress about Crystal structure. 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, COA of Formula: C11H12O3.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics