Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



hb7048 scheme

Acta Cryst. (2013). E69, o480-o481    [ doi:10.1107/S1600536813005461 ]

2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile

A. M. Al-dies, A. M. El-Agrody, M. A. Al-Omar, A. E.-G. E. Amr, S. W. Ng and E. R. T. Tiekink

Abstract: In the title compound, C21H15BrN2O2, the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129 Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281 (4) Å above the plane of the remaining atoms (r.m.s. deviation = 0.0446 Å). The bromobenzene ring is almost perpendicular to the fused-ring system [dihedral angle = 85.34 (13)°]. In the crystal, supramolecular layers parallel to (101) are sustained by amine-cyano N-H...N and amine-methoxy N-H...O hydrogen bonds. The layers stack with interactions of the type (bromobenzene)C-H...[pi](outer-C6 ring of the fused-ring system) connecting them.


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