Crystal structure of methyl 1,3-benzoxazole-2-carboxylate

Abstract

The title compound, C9H7NO3, crystallizes in the monoclinic (P21) space group. In the crystal, the almost planar molecules display a flattened herringbone arrangement. Stacking molecules are slipped in the lengthwise and widthwise directions and are linked by π–π interactions [d(Cg...Cg = 3.6640 (11) Å]. The structure is characterized by strong C—H...N and weak C—H...O hydrogen bonds, and further stabilized by C–O...π interactions.

Keywords

• crystal structure
• benzoxazole
• herringbone arrangement
• γ packing type
• π–π interactions
• strong c—h...n hydrogen bonds