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N'-[3-Cyano-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromen-2-yl]-N,N-dimethyl-methanimidamide.


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) dimethyl-methanimidamide substituent is coplanar [dihedral angle = 1.96?(12)°]. In the crystal, centrosymmetric dimeric aggregates arise from C-H?N inter-actions, and these are connected into supra-molecular layers in the ab plane by C-H?? and ?-? [inter-centroid (central C6 ring)?(outer C6 ring)(i) distance = 3.8564?(14)?Å] inter-actions.

SUBMITTER: Al-Dies AA 

PROVIDER: S-EPMC3629518 | BioStudies | 2013-01-01T00:00:00Z

REPOSITORIES: biostudies

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