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

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...

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Autores principales: Kargar, Hadi, Kia, Reza, Moghadamm, Majid, Tahir, Muhammad Nawaz
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051505/
https://www.ncbi.nlm.nih.gov/pubmed/21523045
http://dx.doi.org/10.1107/S1600536811000948
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author Kargar, Hadi
Kia, Reza
Moghadamm, Majid
Tahir, Muhammad Nawaz
author_facet Kargar, Hadi
Kia, Reza
Moghadamm, Majid
Tahir, Muhammad Nawaz
author_sort Kargar, Hadi
collection PubMed
description 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 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.
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spelling pubmed-30515052011-04-26 (Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone Kargar, Hadi Kia, Reza Moghadamm, Majid Tahir, Muhammad Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 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. International Union of Crystallography 2011-01-12 /pmc/articles/PMC3051505/ /pubmed/21523045 http://dx.doi.org/10.1107/S1600536811000948 Text en © Kargar et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Kargar, Hadi
Kia, Reza
Moghadamm, Majid
Tahir, Muhammad Nawaz
(Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
title (Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
title_full (Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
title_fullStr (Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
title_full_unstemmed (Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
title_short (Furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
title_sort (furan-2-yl)(5-hy­droxy-3-methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)methanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051505/
https://www.ncbi.nlm.nih.gov/pubmed/21523045
http://dx.doi.org/10.1107/S1600536811000948
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