Crystal structure of (tert-butylcarbamoyl)(4-chloro-2-oxo-2H-chromen-3-yl)methyl acetate

Abstract

In the title compound, C17H18ClNO5, which was synthesized by reacting 4-chloro-3-formylcoumarin, acetic acid and tert-butyl isocyanide, the acetamido side chain is convoluted with ring-to-side chain C—C—C—C, C—C—C—N and C—C—N—C torsion angles of −123.30 (14), −135.73 (12) and 176.10 (12)°, respectively. In the crystal, N—H...O and weak C—H...O hydrogen bonds are present, which together with π–π coumarin-ring interactions [ring centroid separations = 3.4582 (8) and 3.6421 (9) Å], give rise to a layered structure lying parallel to (001).

Keywords

• crystal structure
• coumarin derivative
• hydrogen bonding
• π–π coumarin-ring interactions