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Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

The asymmetric unit of the title compound, C(18)H(17)N(3)O(2), comprises three independent mol­ecules (1, 2 and 3). In mol­ecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for m...

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Autores principales: Mague, Joel T., Akkurt, Mehmet, Mohamed, Shaaban K., Mohamed, Alaa F., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719916/
https://www.ncbi.nlm.nih.gov/pubmed/26870544
http://dx.doi.org/10.1107/S2056989015021325
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author Mague, Joel T.
Akkurt, Mehmet
Mohamed, Shaaban K.
Mohamed, Alaa F.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Akkurt, Mehmet
Mohamed, Shaaban K.
Mohamed, Alaa F.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description The asymmetric unit of the title compound, C(18)H(17)N(3)O(2), comprises three independent mol­ecules (1, 2 and 3). In mol­ecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for mol­ecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for mol­ecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three mol­ecules feature an intra­molecular C—H⋯O inter­action, which closes an S(6) ring in each case. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, which generate [100] chains incorporating all three asymmetric mol­ecules. Two weak C—H⋯O interactions connect three independent molecules to each other along the c-axis direction.
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spelling pubmed-47199162016-02-11 Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one Mague, Joel T. Akkurt, Mehmet Mohamed, Shaaban K. Mohamed, Alaa F. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(18)H(17)N(3)O(2), comprises three independent mol­ecules (1, 2 and 3). In mol­ecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for mol­ecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for mol­ecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three mol­ecules feature an intra­molecular C—H⋯O inter­action, which closes an S(6) ring in each case. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, which generate [100] chains incorporating all three asymmetric mol­ecules. Two weak C—H⋯O interactions connect three independent molecules to each other along the c-axis direction. International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719916/ /pubmed/26870544 http://dx.doi.org/10.1107/S2056989015021325 Text en © Mague et al. 2015 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 Data Reports
Mague, Joel T.
Akkurt, Mehmet
Mohamed, Shaaban K.
Mohamed, Alaa F.
Albayati, Mustafa R.
Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
title Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
title_full Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
title_fullStr Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
title_full_unstemmed Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
title_short Crystal structure of 4-[(E)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
title_sort crystal structure of 4-[(e)-(4-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719916/
https://www.ncbi.nlm.nih.gov/pubmed/26870544
http://dx.doi.org/10.1107/S2056989015021325
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