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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...

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Autores principales: Suwunwong, Thitipone, Chantrapromma, Suchada, Chidan Kumar, C. S., Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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