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(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
2
X-ray Crystallography Lab., Plasma Physics Research Center, Science and Research Branch, Islamic Azad University, Tehran, IRAN
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3
Department of chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
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Publication type: Journal Article
Publication date: 2011-01-12
SJR: —
CiteScore: —
Impact factor: —
ISSN: 16005368
PubMed ID:
21523045
General Chemistry
Condensed Matter Physics
General Materials Science
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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Kargar H. et al. (Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone // Acta Crystallographica Section E Structure Reports Online. 2011. Vol. 67. No. 2. p. o367.
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Kargar H., Kia R., Moghadamm M., Tahir M. Z. (Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone // Acta Crystallographica Section E Structure Reports Online. 2011. Vol. 67. No. 2. p. o367.
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TY - JOUR
DO - 10.1107/S1600536811000948
UR - https://doi.org/10.1107/S1600536811000948
TI - (Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
T2 - Acta Crystallographica Section E Structure Reports Online
AU - Kargar, Hadi
AU - Kia, Reza
AU - Moghadamm, Majid
AU - Tahir, Muhammad Z.
PY - 2011
DA - 2011/01/12
PB - International Union of Crystallography (IUCr)
SP - o367
IS - 2
VL - 67
PMID - 21523045
SN - 1600-5368
ER -
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BibTex (up to 50 authors)
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@article{2011_Kargar,
author = {Hadi Kargar and Reza Kia and Majid Moghadamm and Muhammad Z. Tahir},
title = {(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone},
journal = {Acta Crystallographica Section E Structure Reports Online},
year = {2011},
volume = {67},
publisher = {International Union of Crystallography (IUCr)},
month = {jan},
url = {https://doi.org/10.1107/S1600536811000948},
number = {2},
pages = {o367},
doi = {10.1107/S1600536811000948}
}
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MLA
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Kargar, Hadi, et al. “(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone.” Acta Crystallographica Section E Structure Reports Online, vol. 67, no. 2, Jan. 2011, p. o367. https://doi.org/10.1107/S1600536811000948.
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