Title of article :
Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2H-chromen-4-yl)­­oxy]acetic acid di­methyl sulfoxide monosolvate
Author/Authors :
Abuthahir, S. Syed PG & Research Department of Physics - The New College (Autonomous) - University of Madras, India , NizamMohideen, M. PG & Research Department of Physics - The New College (Autonomous) - University of Madras, India , Viswanathan, V. Department of Biophysics - All India Institute of Medical Science, India , Govindhan, M. Department of Chemistry - Anna University, India , Subramanian, K. Department of Chemistry - Anna University, India
Pages :
12
From page :
1
To page :
12
Abstract :
The title compound, C11H8O5·(CH3)2SO, 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.
Keywords :
crystal structure , chromen , acetamide , pyran , dimethyl sulfoxide , hydrogen bonding , C—H⋯π inter­actions , offset π–π inter­actions , Hirshfeld surface analysis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2625387
Link To Document :
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