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3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the molecule of title pyrazoline derivative, C(17)H(18)N(4)OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the methoxyphenyl substituent, displaced by 0.0750 (12) Å from the plane through the other ring atoms. The two substituted benzene rings make a dihed...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793732/ https://www.ncbi.nlm.nih.gov/pubmed/24109319 http://dx.doi.org/10.1107/S1600536813018096 |
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author | Suwunwong, Thitipone Chantrapromma, Suchada Chidan Kumar, C. S. Fun, Hoong-Kun |
author_facet | Suwunwong, Thitipone Chantrapromma, Suchada Chidan Kumar, C. S. Fun, Hoong-Kun |
author_sort | Suwunwong, Thitipone |
collection | PubMed |
description | In the molecule of title pyrazoline derivative, C(17)H(18)N(4)OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the methoxyphenyl substituent, displaced by 0.0750 (12) Å from the plane through the other ring atoms. The two substituted benzene rings make a dihedral angle of 70.59 (6)°. The methoxy group is twisted slightly with respect to the attached benzene ring [C(methyl)—O—C—C torsion angle = −8.84 (15)°]. An intramolecular N—H⋯N hydrogen bond occurs. In the crystal, the pyrazoline molecules are linked by N—H⋯O and N—H⋯S hydrogen bonds into zigzag layers parallel to the bc plane and stacked along the a axis by π–π interactions with centroid–centroid distances of 3.4690 (7) and 3.5792 (7) Å. C—H⋯π interactions are also present. |
format | Online Article Text |
id | pubmed-3793732 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37937322013-10-09 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Suwunwong, Thitipone Chantrapromma, Suchada Chidan Kumar, C. S. Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of title pyrazoline derivative, C(17)H(18)N(4)OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the methoxyphenyl substituent, displaced by 0.0750 (12) Å from the plane through the other ring atoms. The two substituted benzene rings make a dihedral angle of 70.59 (6)°. The methoxy group is twisted slightly with respect to the attached benzene ring [C(methyl)—O—C—C torsion angle = −8.84 (15)°]. An intramolecular N—H⋯N hydrogen bond occurs. In the crystal, the pyrazoline molecules are linked by N—H⋯O and N—H⋯S hydrogen bonds into zigzag layers parallel to the bc plane and stacked along the a axis by π–π interactions with centroid–centroid distances of 3.4690 (7) and 3.5792 (7) Å. C—H⋯π interactions are also present. International Union of Crystallography 2013-07-10 /pmc/articles/PMC3793732/ /pubmed/24109319 http://dx.doi.org/10.1107/S1600536813018096 Text en © Suwunwong et al. 2013 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 Suwunwong, Thitipone Chantrapromma, Suchada Chidan Kumar, C. S. Fun, Hoong-Kun 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title | 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full | 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_fullStr | 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full_unstemmed | 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_short | 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_sort | 3-(4-aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazole-1-carbothioamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793732/ https://www.ncbi.nlm.nih.gov/pubmed/24109319 http://dx.doi.org/10.1107/S1600536813018096 |
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