Crystal structure of 4-(4-methoxyphenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one

oleh: S. Antony Inglebert, Jayabal Kamalraja, K. Sethusankar, Paramasivam T. Perumal

Format: Article
Diterbitkan: International Union of Crystallography 2014-09-01

Deskripsi

In the title compound, C19H22N2O5, the six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The pyran ring has a flat-boat conformation. The methoxyphenyl ring is orthogonal to the mean plane of the chromene moiety, with a dihedral angle of 89.97 (8)°. The amine N atom deviates from the chromene mean plane by 0.1897 (16) Å. The methylamine and the nitro group are involved in an intramolecular N—H...O hydrogen bond which generates an S(6) ring motif. They are slightly twisted out of the plane of the chromene moiety with torsion angles of C—N—C—O(pyran) = 2.2 (3)° and O(nitro)—N—C—C = −5.6 (2)°. In the crystal, there are only C—H...π interactions present, forming inversion-related dimers.