1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one

In the title compound, C(26)H(23)N(5)O(2)S, an intra­molecular N—H⋯O inter­action generates an S(6) ring. The essentially planar S(6) and pyrazole rings [maximum deviations = −0.0270 (14) and 0.0195 (15) Å, respectively] are nearly coplanar, making a dihedral angle of 3.94 (6)°. The S(6) ring makes...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhu, Hualing, Ban, Litong, Zhang, Pingping, Zhao, Xinxin, Ren, Junjie
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051767/
https://www.ncbi.nlm.nih.gov/pubmed/21523134
http://dx.doi.org/10.1107/S1600536811002467
_version_ 1782199557361238016
author Zhu, Hualing
Ban, Litong
Zhang, Pingping
Zhao, Xinxin
Ren, Junjie
author_facet Zhu, Hualing
Ban, Litong
Zhang, Pingping
Zhao, Xinxin
Ren, Junjie
author_sort Zhu, Hualing
collection PubMed
description In the title compound, C(26)H(23)N(5)O(2)S, an intra­molecular N—H⋯O inter­action generates an S(6) ring. The essentially planar S(6) and pyrazole rings [maximum deviations = −0.0270 (14) and 0.0195 (15) Å, respectively] are nearly coplanar, making a dihedral angle of 3.94 (6)°. The S(6) ring makes dihedral angles of 23.79 (6), 78.53 (6) and 67.91 (6)° with the pyrazolone ring, the pyrazole ring and the benzene ring of anti­pyrine, respectively. The structure exhibits a thienyl-ring flip disorder with occupancy factors in the ratio 0.82:0.18.
format Text
id pubmed-3051767
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30517672011-04-26 1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one Zhu, Hualing Ban, Litong Zhang, Pingping Zhao, Xinxin Ren, Junjie Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(23)N(5)O(2)S, an intra­molecular N—H⋯O inter­action generates an S(6) ring. The essentially planar S(6) and pyrazole rings [maximum deviations = −0.0270 (14) and 0.0195 (15) Å, respectively] are nearly coplanar, making a dihedral angle of 3.94 (6)°. The S(6) ring makes dihedral angles of 23.79 (6), 78.53 (6) and 67.91 (6)° with the pyrazolone ring, the pyrazole ring and the benzene ring of anti­pyrine, respectively. The structure exhibits a thienyl-ring flip disorder with occupancy factors in the ratio 0.82:0.18. International Union of Crystallography 2011-01-22 /pmc/articles/PMC3051767/ /pubmed/21523134 http://dx.doi.org/10.1107/S1600536811002467 Text en © Zhu 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
Zhu, Hualing
Ban, Litong
Zhang, Pingping
Zhao, Xinxin
Ren, Junjie
1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
title 1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
title_full 1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
title_fullStr 1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
title_full_unstemmed 1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
title_short 1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
title_sort 1,5-dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol-4-yl­idene)(thio­phen-2-yl)meth­yl]amino}-2-phenyl-1h-pyrazol-3(2h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051767/
https://www.ncbi.nlm.nih.gov/pubmed/21523134
http://dx.doi.org/10.1107/S1600536811002467
work_keys_str_mv AT zhuhualing 15dimethyl43methyl5oxo1phenyl45dihydro1hpyrazol4ylidenethiophen2ylmethylamino2phenyl1hpyrazol32hone
AT banlitong 15dimethyl43methyl5oxo1phenyl45dihydro1hpyrazol4ylidenethiophen2ylmethylamino2phenyl1hpyrazol32hone
AT zhangpingping 15dimethyl43methyl5oxo1phenyl45dihydro1hpyrazol4ylidenethiophen2ylmethylamino2phenyl1hpyrazol32hone
AT zhaoxinxin 15dimethyl43methyl5oxo1phenyl45dihydro1hpyrazol4ylidenethiophen2ylmethylamino2phenyl1hpyrazol32hone
AT renjunjie 15dimethyl43methyl5oxo1phenyl45dihydro1hpyrazol4ylidenethiophen2ylmethylamino2phenyl1hpyrazol32hone

Ejemplares similares