Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2H-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate

The title compound, C11H8O5 center dot(CH3)(2)SO, is a new coumarin derivative. The asymmetric unit contains two coumarin molecules (A and B) and two dimethylsulfoxide solvent molecules (A and B). The dihedral angle between the pyran and benzene rings in the chromene moiety is 3.56 (2)degrees for molecule A and 1.83 (2)degrees for molecule B. In molecule 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, molecules are linked by O-H center dot center dot center dot O hydrogen bonds, forming chains running along the c-axis direction. The chains are linked by C-H center dot center dot center dot O hydrogen bonds, forming layers parallel to the ac plane. In addition, there are also C-H center dot center dot center dot-pi and pi-pi interactions present within the layers. The intermolecular 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 center dot center dot center dot H (33.9%) and O center dot center dot center dot H/H center dot center dot center dot O (41.2%) contacts.