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

Kargar, H., Kia, R., Moghadamm, M., & Tahir, M. N. (2011). (Furan-2-yl)(5-hy-droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone. Acta Crystallographica Section E, 67(2): 0367. doi:10.1107/S1600536811000948.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-24A0-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-24A5-1
Genre: Journal Article

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 Creators:
Kargar, H., Author
Kia, R.1, Author              
Moghadamm, M., Author
Tahir, M. N., Author
Affiliations:
1Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for Biophysical Chemistry, Max Planck Society, ou_578564              

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 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 π-π stacking inter-actions with a centroid-centroid distance of 3.8646 (12) Å.

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Language(s): eng - English
 Dates: 2011-012011-02
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1107/S1600536811000948
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Title: Acta Crystallographica Section E
Source Genre: Journal
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Pages: 8 Volume / Issue: 67 (2) Sequence Number: 0367 Start / End Page: - Identifier: -