Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



zs2245 scheme

Acta Cryst. (2012). E68, o3438-o3439    [ doi:10.1107/S1600536812047666 ]

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

A. Abou, A. Djandé, G. Danger, A. Saba and R. Kakou-Yao

Abstract: In the title molecule, C17H12O5, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R22(6) dimers joined by a C(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif R44(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an R22(8) ring motif and a C(7) chain via C-H...O interactions. In the structure, there are also [pi]-[pi] stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O...[pi] interactions [O...(ring centroid) distance = 3.357 (3) Å].


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