Abstract
The title compound, C11H8O5·(CH3)2SO, is a new coumarin derivative. The asymmetric unit contains two coumarin mol-ecules (A and B) and two di-methyl-sulfoxide solvent mol-ecules (A and B). The dihedral angle between the pyran and benzene rings in the chromene moiety is 3.56 (2)° for mol-ecule A and 1.83 (2)° for mol-ecule B. In mol-ecule A, the dimethyl sulfoxide sulfur atom is disordered over two positions with a refined occupancy ratio of 0.782 (5):0.218 (5). In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains running along the c-axis direction. The chains are linked by C-H⋯O hydrogen bonds, forming layers parallel to the ac plane. In addition, there are also C-H⋯π and π-π inter-actions present within the layers. The inter-molecular contacts in the crystal have been analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots, which indicate that the most important contributions to the packing are from H⋯H (33.9%) and O⋯H/H⋯O (41.2%) contacts.
Highlights
The title compound, C11H8O5Á(CH3)2SO, is a new coumarin derivative
Molecules are linked by O—HÁ Á ÁO hydrogen bonds, forming chains running along the c-axis direction
The chains are linked by C—HÁ Á ÁO hydrogen bonds, forming layers parallel to the ac plane
Summary
Coumarin and its derivatives represent one of the most active classes of compounds, possessing a wide spectrum of biological activity. The synthesis, and pharmacological and other properties of coumarin derivatives have been studied intensively and reviewed (Syed Abuthahir et al, 2019; Kumar et al, 2015; Kubrak et al, 2017; Srikrishna et al, 2018; Venugopala et al, 2013). Many of these compounds have proven to be active as antibacterial, antifungal, anti-inflammatory, anticoagulant, anti-HIV and antitumor agents (Govindhan, Subramanian, Chennakesava Rao et al, 2015; Govindhan, Subramanian, Sridharan et al, 2015). In view of the importance of their natural occurrence, biological, pharmacological and medicinal activities, and their use as synthetic intermediates, we have synthesized the title derivative 2-[(2oxo-2H-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate, and report on its crystal structure and Hirshfeld surface analysis
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