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Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one
In the title compound, C(17)H(13)NO(5), the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 Å). The nitrophenyl ring makes a dihedral angle of 25.27 (9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihe...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645040/ https://www.ncbi.nlm.nih.gov/pubmed/26594565 http://dx.doi.org/10.1107/S2056989015019325 |
Sumario: | In the title compound, C(17)H(13)NO(5), the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 Å). The nitrophenyl ring makes a dihedral angle of 25.27 (9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3 (3)°. The ethoxy group is inclined to the coumarin ring plane by 4.1 (2)°. Electron delocalization was found at the short bridging C—C bond with a bond length of 1.354 (2) Å. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming sheets in the bc plane. The sheets are linked via π–π stacking [centroid–centroid distances = 3.5688 (13) and 3.7514 (13) Å], forming a three-dimensional structure. |
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