Cargando…

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

The title compound, C(11)H(8)O(5)·(CH(3))(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)° for mol­ec...

Descripción completa

Detalles Bibliográficos
Autores principales: Syed Abuthahir, S., NizamMohideen, M., Viswanathan, V., Govindhan, M., Subramanian, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690464/
https://www.ncbi.nlm.nih.gov/pubmed/31417777
http://dx.doi.org/10.1107/S2056989019009447
Descripción
Sumario:The title compound, C(11)H(8)O(5)·(CH(3))(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)° for mol­ecule A and 1.83 (2)° 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⋯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 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⋯H (33.9%) and O⋯H/H⋯O (41.2%) contacts.