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Ethyl 2-amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carboxyl-ate.

ABSTRACT: In the title compound, C(23)H(20)FNO(4), the fluoro-substituted benzene ring is approximately perpendicular to the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.264?(1)?Å], with a dihedral angle of 83.79?(6)°. The pyran ring adopts a flattened boat conformation. The meth-oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C-O-C-C = -2.1?(2)°]. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H?O and N-H?F hydrogen bonds into a layer parallel to the bc plane. The crystal packing also features C-H?? inter-actions.

SUBMITTER: El-Agrody AM

PROVIDER: S-EPMC3379378 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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Ethyl 2-amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carboxyl-ate.

El-Agrody Ahmed M AM Al-Omar Mohamed A MA Amr Abdel-Galil E AG Chia Tze Shyang TS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

In the title compound, C(23)H(20)FNO(4), the fluoro-substituted benzene ring is approximately perpendicular to the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.264 (1) Å], with a dihedral angle of 83.79 (6)°. The pyran ring adopts a flattened boat conformation. The meth-oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C-O-C-C = -2.1 (2)°]. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal ...[more]

PMID: 22719576

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