Abstract
The asymmetric unit of the title compound, C13H14O3, contains two independent mol-ecules, A and B, that are inter-connected through an offset π-π inter-action [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each mol-ecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for mol-ecules A and B, respectively. Similarly, the coumarin ring system and the 7-prop-oxy substituent are close to being coplanar [C-C-O-C torsion angles = 2.9 (2) and 1.4 (2)° for mol-ecules A and B, respectively]. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, forming supra-molecular tapes along [100] that are linked into a three-dimensional network by C-H⋯π inter-actions, as well as by the aforementioned π-π inter-actions.
Highlights
The asymmetric unit of the title compound, C13H14O3, contains two independent molecules, A and B, that are interconnected through an offset – interaction [inter-centroid separation = 3.6087 (4) Å]
Coumarin (2H-1-benzopyran-2-one) is a plant-derived natural product known for its pharmacological properties such as antiinflammatory, anticoagulant, antibacterial, antifungal, antiviral, anticancer, antihypertensive, antitubercular, anticonvulsant, anti-adipogenic, antihyperglycemic, anti-oxidant and neuroprotective properties
In order to assist our knowledge about the stereoelectronic requirements from these kinds of molecules to show anti-asthmatic or tracheal relaxant actions, we have synthesized (Sánchez-Recillas et al, 2014) and determined the crystal structure of the title compound, (I)
Summary
Coumarin (2H-1-benzopyran-2-one) is a plant-derived natural product known for its pharmacological properties such as antiinflammatory, anticoagulant, antibacterial, antifungal, antiviral, anticancer, antihypertensive, antitubercular, anticonvulsant, anti-adipogenic, antihyperglycemic, anti-oxidant and neuroprotective properties. Dietary exposure to benzopyrones is significant as these compounds are found in vegetables, fruits, seeds, nuts, coffee, tea and wine (Venugopala et al, 2013). In order to assist our knowledge about the stereoelectronic requirements from these kinds of molecules to show anti-asthmatic or tracheal relaxant actions, we have synthesized (Sánchez-Recillas et al, 2014) and determined the crystal structure of the title compound, (I). A related structure, 3acetylcoumarin, has been reported on by Munshi et al (2004)
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