Abstract
In the title compound, C18H15NO3, the fused benzopyran and pyridine rings are essentially coplanar [r.m.s. deviation = 0.0533 Å with a maximum deviation of 0.080 (1) Å for a benzene C atom]. The cyclohexanone ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660 (2) Å out of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305 Å). The dihedral angle between the mean planes of the pyran and cyclohexanone rings is 12.95 (6)°. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, leading to chains running along [011].
Highlights
In the title compound, C18H15NO3, the fused benzopyran and pyridine rings are essentially coplanar [r.m.s. deviation = 0.0533 Awith a maximum deviation of 0.080 (1) Afor a benzene C atom]
The cyclohexanone ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660 (2) Aout of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305 A )
Molecules are linked via C— HÁ Á ÁO hydrogen bonds, leading to chains running along [011]
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.002 A; R factor = 0.040; wR factor = 0.118; data-to-parameter ratio = 14.7. The cyclohexanone ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660 (2) Aout of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305 A ). The dihedral angle between the mean planes of the pyran and cyclohexanone rings is 12.95 (6). Molecules are linked via C— HÁ Á ÁO hydrogen bonds, leading to chains running along [011]. Related literature For the uses and biological importance of diketones, see: Bennett et al (1999); Sato et al (2008).
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