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(4-Methylphenyl)[1-(4-methylphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone
In the title pyrazole compound, C(22)H(17)N(3)O(4), an intramolecular C—H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dih...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972131/ https://www.ncbi.nlm.nih.gov/pubmed/21578827 http://dx.doi.org/10.1107/S1600536809047758 |
Sumario: | In the title pyrazole compound, C(22)H(17)N(3)O(4), an intramolecular C—H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dihedral angle of 3.75 (10)°. One of the methylphenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41 (9)°. In the crystal structure, molecules are linked into chains along [[Image: see text]10] by C—H⋯O contacts. The crystal structure is further stabilized by π–π interactions [centroid–centroid distance = 3.4437 (10) Å]. |
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