Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



su2597 scheme

Acta Cryst. (2013). E69, o931-o932    [ doi:10.1107/S1600536813012774 ]

4-(4-Bromophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4H-chromen-5-one

P. Narayanan, J. Kamalraja, P. T. Perumal and K. Sethusankar

Abstract: In the title compound, C16H15BrN2O4, the six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation with the disordered methylene C atom as the flap. The pyran ring is almost orthogonal to the chlorophenyl ring, making a dihedral angle of 87.11 (12)°. The amine-group N atom deviates significantly from the pyran ring [0.238 (3) Å]. The molecular structure is stabilized by an intramolecular N-H...O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked via C-H...O hydrogen bonds, which generate C(8) chains running parallel to the b axis. The chains are linked by C-H...[pi] interactions. The methylene-group C atom of the chromene system that is disordered, along with its attached H atoms and the H atoms on the two adjacent C atoms, has an occupancy ratio of 0.791 (7):0.209 (7).


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