(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone

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) &...

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Bibliographic Details
Main Authors: Hadi Kargar, Reza Kia, Majid Moghadamm, Muhammad Nawaz Tahir
Format: Article
Language:English
Published: International Union of Crystallography 2011-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811000948
Description
Summary: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.
ISSN:1600-5368