Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



hg5296 scheme

Acta Cryst. (2013). E69, o482-o483    [ doi:10.1107/S1600536813005503 ]

N'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide

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

Abstract: In the title compound, C24H20FN3O2, despite the 4H-pyran ring having a flattened half-chair conformation [the methine C atom lies 0.257 (3) Å above the plane of the remaining atoms with an r.m.s. deviation of 0.0295 Å], the 14 non-H atoms of the 4H-benzo[h]chromene residue are approximately coplanar (r.m.s. deviation = 0.081 Å). The benzene ring is nearly perpendicular to this plane [dihedral angle = 76.18 (10)°], but the planar (r.m.s. deviation = 0.033 Å) dimethylmethanimidamide substituent is coplanar [dihedral angle = 1.96 (12)°]. In the crystal, centrosymmetric dimeric aggregates arise from C-H...N interactions, and these are connected into supramolecular layers in the ab plane by C-H...[pi] and [pi]-[pi] [intercentroid (central C6 ring)...(outer C6 ring)i distance = 3.8564 (14) Å] interactions.


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