Abstract
In the title compound, C16H17N3O3, the chromene ring is planar, with a maximum deviation of 0.017 (4) Å for the ring O atom. The triazole and the chromene rings, bridged by a methylene C atom, are inclined to one another by 78.3 (2)°. In the crystal, methylene–triazole C—H...N hydrogen bonds lead to the formation of helical supramolecular chains along thebaxis. The sample was refined as an inversion twin. The terminal methylhydroxy group is disordered over two sets of sites [site occupancy = 0.610 (13) for the major component].
Highlights
In the title compound, C16H17N3O3, the chromene ring is planar, with a maximum deviation of 0.017 (4) Afor the ring O atom
Methylene–triazole C—HÁ Á ÁN hydrogen bonds lead to the formation of helical supramolecular chains along the b axis
The terminal methylhydroxy group is disordered over two sets of sites [site occupancy = 0.610 (13) for the major component]
Summary
Coumarins and their derivatives form represent an important class of natural and synthetic heterocycles that are often linked to a broad array of biological activities (Gaspar et al, 2015), such as anti-bacterial (Basanagouda et al, 2009), anti-oxidant (Vukovic et al, 2010) and anti-inflammatory (Emmanuel-Giota et al, 2001). In the molecular structure (Fig. 1), the chromene unit (O19/C9/C10/C18/C20/C22) is planar, with a maximum deviation of 0.017 (4) Afor the ring atom O21. The intra-ring bond conformation between the chromene and triazole moieties are characterized by torsion angles of 100.2 (5) [for N4—N5—C8—C9] and À178.6 (3) [for C10—C9—C8— N5].
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