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2-Amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carbonitrile.

ABSTRACT: In the title mol-ecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109?(2)?Å] is 83.35?(7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The meth-oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C-O-C-C = -4.3?(3)°]. In the crystal, mol-ecules are linked by inter-molecular N-H?N hydrogen bonds into infinite wave-like chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.7713?(9)?Å].

SUBMITTER: Al-Dies AA

PROVIDER: S-EPMC3379488 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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2-Amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carbonitrile.

Al-Dies Al-Anood M AA Amr Abdel-Galil E AG El-Agrody Ahmed M AM Chia Tze Shyang TS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title mol-ecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109 (2) Å] is 83.35 (7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The meth-oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C-O-C-C = -4.3 (3)°]. In the crystal, mol-ecules are linked by inter-molecular N-H⋯N ...[more]

PMID: 22719686

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