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

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Abstract

The title compound, C21H15FN2O 2, 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⋯π and π-π [intercentroid distance = 3.6671 (10) Å] interactions.

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El-Agrody, A. M., Al-Omar, M. A., Amr, A. E. G. E., Ng, S. W., & Tiekink, E. R. T. (2013). 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile. Acta Crystallographica Section E: Structure Reports Online, 69(4). https://doi.org/10.1107/S160053681300545X

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