Abstract
In the title pyrazole compound, C21H15N3O4, 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].
Highlights
In the title pyrazole compound, C21H15N3O4, an intramolecular C—H O hydrogen bond generates an S(7) ring motif
The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)
Intermolecular C—H O interactions form bifurcated hydrogen bonds, generating R21(7) ring motifs. These hydrogen bonds link the molecules into infinite chains along the a axis
Summary
R factor = 0.067; wR factor = 0.135; data-to-parameter ratio = 20.0. In the title pyrazole compound, C21H15N3O4, 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). Intermolecular C—H O interactions form bifurcated hydrogen bonds, generating R21(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 – interactions [centroid–centroid distance =
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