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3-Amino-1-(4-fluorophenyl)-7-methoxy-1H-benzo[f]chromene-2-carbonitrile
In the title compound, C(21)H(15)FN(2)O(2), the furan ring has a flattened half-chair conformation [the methine C atom lies 0.136 (2) Å above the C(5) 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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629516/ https://www.ncbi.nlm.nih.gov/pubmed/23634034 http://dx.doi.org/10.1107/S1600536813005473 |
Sumario: | In the title compound, C(21)H(15)FN(2)O(2), the furan ring has a flattened half-chair conformation [the methine C atom lies 0.136 (2) Å above the C(5) 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 fluorobenzene ring is almost perpendicular to this plane [dihedral angle = 89.58 (8)°]. Zigzag supramolecular tapes along the b axis are the most notable feature of the crystal packing. This arises through an alternating sequence of 12-membered {⋯HNC(3)N}(2) and eight-membered {⋯HNCO}(2) synthons. These are connected into a three-dimensional architecture by π–π [intercentroid distance for centrosymmetrically related fluorobenzene rings = 3.5181 (10) Å] and C—H⋯π interactions. |
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