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

ABSTRACT: In the title compound, C21H15BrN2O2, the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129?Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281?(4)?Å above the plane of the remaining atoms (r.m.s. deviation = 0.0446?Å). The bromo-benzene ring is almost perpendicular to the fused-ring system [dihedral angle = 85.34?(13)°]. In the crystal, supra-molecular layers parallel to (101) are sustained by amine-cyano N-H?N and amine-meth-oxy N-H?O hydrogen bonds. The layers stack with inter-actions of the type (bromo-benzene)C-H??(outer-C6 ring of the fused-ring system) connecting them.

SUBMITTER: Al-Dies AA

PROVIDER: S-EPMC3629517 | biostudies-other | 2013 Apr

REPOSITORIES: biostudies-other

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

Al-Dies Al-Anood M AA 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

In the title compound, C21H15BrN2O2, the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129 Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281 (4) Å above the plane of the remaining atoms (r.m.s. deviation = 0.0446 Å). The bromo-benzene ring is almost perpendicular to the fused-ring system [dihedral angle = 85.34 (13)°]. In the crystal, supra-molecular layers parall ...[more]

PMID: 23634035

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