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. 2012 Dec 1;68(Pt 12):o3438-9.
doi: 10.1107/S1600536812047666. Epub 2012 Nov 24.

2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate

Akoun Abou  1 , Abdoulaye Djandé, Grégoire Danger, Adama Saba, Rita Kakou-Yao
Affiliations

2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate

Akoun Abou et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title mol-ecule, C17H12O5, the chromen-2-one ring and the 4-meth-oxy-benzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R2(2)(6) dimers joined by a C(7) chain, resulting in centrosymetric tetra-mers of hydrogen-bonded mol-ecules with graph-set motif R4(4)(40). These centrosymetric tetra-mers are connected by a pair of hydrogen bonds described by an R2(2)(8) ring motif and a C(7) chain via C-H⋯O inter-actions. In the structure, there are also π-π stacking inter-actions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O⋯π inter-actions [O⋯(ring centroid) distance = 3.357 (3) Å].

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing displacement ellipsoids at the 50% probability level. H atoms are shown as spheres of arbitrary radius.
Fig. 2.
Fig. 2.
The crystal packing, viewed down the c axis, showing parallel sheets of centrosymmetric R22(6) dimers linked by an infinite C(7) chain to form a centrosymetric R44(40) tetramers. The dashed lines indicate hydrogen bonds. H atoms not involved in hydrogen bonding have been omitted for clarity.
Fig. 3.
Fig. 3.
The crystal packing, viewed down the c axis, showing the supramolecular aggregation formed by the propagation of the centrosymetric R44(40) tetramers via C—H···O hydrogen bonds. The dashed lines indicate hydrogen bonds. H atoms not involved in hydrogen bonding have been omitted.
Fig. 4.
Fig. 4.
A view of the crystal packing, showing C═O···π and π–π stacking interactions (dashed lines). The green dots are centroids of rings. H atoms have been omitted.
See this image and copyright information in PMC

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