(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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International Union of Crystallography
2011-02-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811000948 |
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doaj-54619a7ec9af4552bed1524aec0c9e452020-11-25T00:14:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-02-01672o367o36710.1107/S1600536811000948(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanoneHadi KargarReza KiaMajid MoghadammMuhammad Nawaz TahirIn 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. http://scripts.iucr.org/cgi-bin/paper?S1600536811000948 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hadi Kargar Reza Kia Majid Moghadamm Muhammad Nawaz Tahir |
spellingShingle |
Hadi Kargar Reza Kia Majid Moghadamm Muhammad Nawaz Tahir (Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone Acta Crystallographica Section E |
author_facet |
Hadi Kargar Reza Kia Majid Moghadamm Muhammad Nawaz Tahir |
author_sort |
Hadi Kargar |
title |
(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_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_sort |
(furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)methanone |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2011-02-01 |
description |
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. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536811000948 |
work_keys_str_mv |
AT hadikargar furan2yl5hydroxy3methyl5phenyl45dihydro1hpyrazol1ylmethanone AT rezakia furan2yl5hydroxy3methyl5phenyl45dihydro1hpyrazol1ylmethanone AT majidmoghadamm furan2yl5hydroxy3methyl5phenyl45dihydro1hpyrazol1ylmethanone AT muhammadnawaztahir furan2yl5hydroxy3methyl5phenyl45dihydro1hpyrazol1ylmethanone |
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1725391151143321600 |