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(4-Methylphenyl)[3-(5-nitro-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methanone
In the title pyrazole compound, C(21)H(15)N(3)O(4), an intramolecular C—H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is appr...
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/PMC2972143/ https://www.ncbi.nlm.nih.gov/pubmed/21578818 http://dx.doi.org/10.1107/S1600536809047217 |
Sumario: | In the title pyrazole compound, C(21)H(15)N(3)O(4), an intramolecular C—H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)°. In the crystal structure, intermolecular C—H⋯O interactions form bifurcated hydrogen bonds, generating R (1) (2)(7) ring motifs. These hydrogen bonds link the molecules into infinite chains along the a axis. The crystal structure is further stabilized by weak intermolecular π–π interactions [centroid–centroid distance = 3.4118 (10) Å]. |
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