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3-Amino-1-(4-fluoro-phen-yl)-8-meth-oxy-1H-benzo[f]chromene-2-carbonitrile.

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 fluoro-benzene 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?? and ?-? [inter-centroid distance = 3.6671?(10)?Å] inter-actions.

SUBMITTER: El-Agrody AM

PROVIDER: S-EPMC3629515 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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3-Amino-1-(4-fluoro-phen-yl)-8-meth-oxy-1H-benzo[f]chromene-2-carbonitrile.

El-Agrody Ahmed M AM Al-Omar Mohamed A MA Amr Abd El-Galil E Ael-G Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130302 Pt 4

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 fluoro-benzene 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⋯ ...[more]

PMID: 23634033

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