Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate

Methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate, C17H13NO4 (1), was prepared by condensation between 4-hydroxycoumarin and methyl 2-aminobenzoate. It crystallizes in the orthorhombic space group Pca2(1) at 300 K. The molecule of compound 1 consists of the 2H-chromen-2-one part connected by an amine moiety (-NH-) to the methyl benzoate ring. The supramolecular array is formed by hydrogen bonds between the aromatic ring and the O atoms of the lactone and ester portions. The structural details match the spectroscopic data acquired from NMR and IR spectroscopy.

Automated summary

Methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate (1) was synthesized and its crystal structure and supramolecular array were analyzed.