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

ABSTRACT: In the title compound, C(15)H(14)N(2)O(3), 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 mol-ecule shows chirality in one of the carbon atoms but the centrosymmetric space group means the compound is a racemic mixture. In the crystal, inter-molecular O-H?O and C-H?O hydrogen bonds connect the mol-ecules. The crystal structure is further stabilized by ?-? stacking inter-actions with a centroid-centroid distance of 3.8646?(12)?Å.

SUBMITTER: Kargar H 

PROVIDER: S-EPMC3051505 | biostudies-other | 2011

REPOSITORIES: biostudies-other

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

Kargar Hadi H   Kia Reza R   Moghadamm Majid M   Tahir Muhammad Nawaz MN  

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

In the title compound, C(15)H(14)N(2)O(3), 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 mol-ecule shows chirality in one of the carb  ...[more]

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