Abstract
In the title pyrazole compound, C20H13N3O4, an intramolecular C—H⋯O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1) and 0.007 (1) Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10)°. The pyrazole ring forms dihedral angles of 8.51 (9) and 56.81 (9)° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3)°. In the crystal packing, intermolecular C—H⋯O hydrogen bonds link adjacent molecules into two-molecule-wide chains along the a axis. The crystal packing is further stabilized by weak intermolecular C—H⋯π and π–π interactions [centroid–centroid distance = 3.4441 (10) Å].
Highlights
In the title pyrazole compound, C20H13N3O4, an intramolecular C—H O hydrogen bond generates a sevenmembered ring, producing an S(7) ring motif
The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3)
The crystal packing is further stabilized by weak intermolecular C—H and – interactions [centroid
Summary
R factor = 0.051; wR factor = 0.129; data-to-parameter ratio = 16.0. In the title pyrazole compound, C20H13N3O4, an intramolecular C—H O hydrogen bond generates a sevenmembered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of. 0.002 (1) and 0.007 (1) Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10). The pyrazole ring forms dihedral angles of 8.51 (9) and 56.81 (9) with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3). Intermolecular C—H O hydrogen bonds link adjacent molecules into two-molecule-wide chains along the a axis. The crystal packing is further stabilized by weak intermolecular C—H and – interactions [centroid–.
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