Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



hb7047 scheme

Acta Cryst. (2013). E69, o476-o477    [ doi:10.1107/S160053681300545X ]

3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile

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

Abstract: The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluorobenzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132 (2) Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107 Å). In the crystal, inversion dimers are formed via pairs of amine-cyano N-H...N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C-H...N(cyano), C-H...[pi] and [pi]-[pi] [intercentroid distance = 3.6671 (10) Å] interactions.


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