2-Oxo-2H-chromen-4-yl 4-methoxybenzoate
Identifieur interne : 000A31 ( Ncbi/Checkpoint ); précédent : 000A30; suivant : 000A322-Oxo-2H-chromen-4-yl 4-methoxybenzoate
Auteurs : Akoun Abou ; Abdoulaye Djandé [Burkina Faso] ; Grégoire Danger [France] ; Adama Saba [Burkina Faso] ; Rita Kakou-YaoSource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2012.
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
Url:
DOI: 10.1107/S1600536812047666
PubMed: 23476255
PubMed Central: 3589019
Affiliations:
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PMC:3589019Le document en format XML
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-chromen-4-yl 4-methoxybenzoate</title>
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-chromen-4-yl 4-methoxybenzoate</title>
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<front><div type="abstract" xml:lang="en"><p>In the title molecule, C<sub>17</sub>
H<sub>12</sub>
O<sub>5</sub>
, 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 <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(6) dimers joined by a <italic>C</italic>
(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif <italic>R</italic>
<sub>4</sub>
<sup>4</sup>
(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) ring motif and a <italic>C</italic>
(7) chain <italic>via</italic>
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].</p>
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