Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one

Abstract

The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent molecules (A and B). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one another by 2.65 (16)° in molecule A and by 4.55 (15)° in molecule B. In the crystal, the individual molecules are linked via C—H...O hydrogen bonds, forming –A–B–A–B– chains along the [10-1] direction. The chains are linked via C—H...π and π–π interactions [intercentroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thiophene rings in both molecules, forming a three-dimensional structure.

Keywords

• crystal structure
• azlactones
• 1,3-oxazol-5(4H)-one
• hydrogen bonding
• C—H...π and π–π interactions