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 R 2 2(6) dimers joined by a C(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif R 4 4(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an R 2 2(8) ring motif and a C(7) chain via C—H⋯O interactions. In the structure, there are also π–π stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid–centroid distance = 3.691 (2) Å] and weak C=O⋯π interactions [O⋯(ring centroid) distance = 3.357 (3) Å].
Highlights
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)
C(7) chain, resulting in centrosymetric tetramers of hydrogenbonded 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
The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
Adama Sabab and Rita Kakou-Yaoa a Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire, bLaboratoire de Chimie Bio-organique et de Phytochimie, Université de Ouagadougou, 03 BP 7021 Ouagadougou 03, Burkina Faso, and cLaboratoire de Physique des Interactions Ioniques et Moléculaires, Equipe-Spectrométries et Dynamique Moléculaire, Centre Saint. 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 hydrogenbonded 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. There are – stacking interactions between chromene benzene and the sixmembered heterocyclic rings [centroid–centroid distance =. 3.691 (2) Å] and weak C O interactions [O (ring centroid) distance = 3.357 (3) Å]
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