Cargando…
(4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one
In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitrobenzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole molecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393312/ https://www.ncbi.nlm.nih.gov/pubmed/22807869 http://dx.doi.org/10.1107/S1600536812025238 |
_version_ | 1782237720277417984 |
---|---|
author | Chaudhry, Faryal Tahir, M. Nawaz Khan, Misbahul Ain Ather, Abdul Qayyum Asif, Nadia |
author_facet | Chaudhry, Faryal Tahir, M. Nawaz Khan, Misbahul Ain Ather, Abdul Qayyum Asif, Nadia |
author_sort | Chaudhry, Faryal |
collection | PubMed |
description | In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitrobenzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole molecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intramolecular C—H⋯O and O—H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds generate R (2) (2)(10) loops and further C—H⋯O bonds link the dimers along the b-axis direction. There exist π–π interactions between the heterocyclic rings at a centroid–centroid distance of 3.7126 (10) Å and between the centroids of the benzene rings at a distance of 3.8710 (16) Å. |
format | Online Article Text |
id | pubmed-3393312 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33933122012-07-17 (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one Chaudhry, Faryal Tahir, M. Nawaz Khan, Misbahul Ain Ather, Abdul Qayyum Asif, Nadia Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitrobenzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole molecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intramolecular C—H⋯O and O—H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds generate R (2) (2)(10) loops and further C—H⋯O bonds link the dimers along the b-axis direction. There exist π–π interactions between the heterocyclic rings at a centroid–centroid distance of 3.7126 (10) Å and between the centroids of the benzene rings at a distance of 3.8710 (16) Å. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393312/ /pubmed/22807869 http://dx.doi.org/10.1107/S1600536812025238 Text en © Chaudhry et al. 2012 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 Chaudhry, Faryal Tahir, M. Nawaz Khan, Misbahul Ain Ather, Abdul Qayyum Asif, Nadia (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one |
title | (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one |
title_full | (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one |
title_fullStr | (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one |
title_full_unstemmed | (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one |
title_short | (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one |
title_sort | (4z)-4-[(2e)-1-hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1h-pyrazol-5(4h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393312/ https://www.ncbi.nlm.nih.gov/pubmed/22807869 http://dx.doi.org/10.1107/S1600536812025238 |
work_keys_str_mv | AT chaudhryfaryal 4z42e1hydroxy33nitrophenylprop2en1ylidene3methyl14methylphenyl1hpyrazol54hone AT tahirmnawaz 4z42e1hydroxy33nitrophenylprop2en1ylidene3methyl14methylphenyl1hpyrazol54hone AT khanmisbahulain 4z42e1hydroxy33nitrophenylprop2en1ylidene3methyl14methylphenyl1hpyrazol54hone AT atherabdulqayyum 4z42e1hydroxy33nitrophenylprop2en1ylidene3methyl14methylphenyl1hpyrazol54hone AT asifnadia 4z42e1hydroxy33nitrophenylprop2en1ylidene3methyl14methylphenyl1hpyrazol54hone |