Abstract
In the title compound, C15H14N2O3, the furan ring is disordered over two positions with a refined site-occupancy ratio of 0.587 (11):0.413 (11). The mean plane of the approximately planar pyrazole ring [maximum deviation = 0.0469 (11) Å] makes dihedral angles of 86.13 (11) and 4.5 (5)° with the phenyl and furan rings, respectively. The dihedral angle between the phenyl ring and the major component of the disordered furan ring is 81.8 (5)°. The molecule shows chirality in one of the carbon atoms but the centrosymmetric space group means the compound is a racemic mixture. In the crystal, intermolecular O—H⋯O and C—H⋯O hydrogen bonds connect the molecules. The crystal structure is further stabilized by π–π stacking interactions with a centroid–centroid distance of 3.8646 (12) Å.
Highlights
C15H14N2O3, the furan ring is disordered over two positions with a refined site-occupancy ratio of 0.587 (11):0.413 (11)
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
An approximate treatment of cell esds is used for estimating esds involving l.s. planes
Summary
C15H14N2O3, the furan ring is disordered over two positions with a refined site-occupancy ratio of 0.587 (11):0.413 (11). The mean plane of the approximately planar pyrazole ring [maximum deviation =. With the phenyl and furan rings, respectively. The dihedral angle between the phenyl ring and the major component of the disordered furan ring is 81.8 (5). The molecule shows chirality in one of the carbon atoms but the centrosymmetric space group means the compound is a racemic mixture. Intermolecular O—H O and C—H O hydrogen bonds connect the molecules. The crystal structure is further stabilized by – stacking interactions with a centroid–. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.042; wR factor = 0.106; data-to-parameter ratio = 11.3.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta Crystallographica Section E Structure Reports Online
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
