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3-Amino-1-(4-fluoro-phen-yl)-7-meth-oxy-1H-benzo[f]chromene-2-carbonitrile.

ABSTRACT: In the title compound, C21H15FN2O2, the furan ring has a flattened half-chair conformation [the methine C atom lies 0.136?(2)?Å above the C5 plane which has an r.m.s. deviation of 0.0229?Å]. Overall, the 1H-benzo[f]chromene fused-ring system approximates a plane (r.m.s. deviation of the 14 non-H atoms = 0.049?Å). The fluoro-benzene ring is almost perpendicular to this plane [dihedral angle = 89.58?(8)°]. Zigzag supra-molecular tapes along the b axis are the most notable feature of the crystal packing. This arises through an alternating sequence of 12-membered {?HNC3N}2 and eight-membered {?HNCO}2 synthons. These are connected into a three-dimensional architecture by ?-? [inter-centroid distance for centrosymmetrically related fluoro-benzene rings = 3.5181?(10)?Å] and C-H?? inter-actions.

SUBMITTER: Amr Ael-G 

PROVIDER: S-EPMC3629516 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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3-Amino-1-(4-fluoro-phen-yl)-7-meth-oxy-1H-benzo[f]chromene-2-carbonitrile.

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

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

In the title compound, C21H15FN2O2, the furan ring has a flattened half-chair conformation [the methine C atom lies 0.136 (2) Å above the C5 plane which has an r.m.s. deviation of 0.0229 Å]. Overall, the 1H-benzo[f]chromene fused-ring system approximates a plane (r.m.s. deviation of the 14 non-H atoms = 0.049 Å). The fluoro-benzene ring is almost perpendicular to this plane [dihedral angle = 89.58 (8)°]. Zigzag supra-molecular tapes along the b axis are the most notable feature of the crystal pa  ...[more]

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