3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the molecule of title pyrazoline derivative, C17H18N4OS, 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 benzen...
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International Union of Crystallography
2013-08-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813018096 |
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doaj-8d5e7acc43154501a6908e05df4555942020-11-25T00:35:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-08-01698o1227o122810.1107/S16005368130180963-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamideHoong-Kun FunC. S. Chidan KumarSuchada ChantraprommaThitipone SuwunwongIn the molecule of title pyrazoline derivative, C17H18N4OS, 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 [Cmethyl—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.http://scripts.iucr.org/cgi-bin/paper?S1600536813018096 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hoong-Kun Fun C. S. Chidan Kumar Suchada Chantrapromma Thitipone Suwunwong |
spellingShingle |
Hoong-Kun Fun C. S. Chidan Kumar Suchada Chantrapromma Thitipone Suwunwong 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Acta Crystallographica Section E |
author_facet |
Hoong-Kun Fun C. S. Chidan Kumar Suchada Chantrapromma Thitipone Suwunwong |
author_sort |
Hoong-Kun Fun |
title |
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_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_sort |
3-(4-aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazole-1-carbothioamide |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2013-08-01 |
description |
In the molecule of title pyrazoline derivative, C17H18N4OS, 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 [Cmethyl—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. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536813018096 |
work_keys_str_mv |
AT hoongkunfun 34aminophenyl54methoxyphenyl45dihydro1hpyrazole1carbothioamide AT cschidankumar 34aminophenyl54methoxyphenyl45dihydro1hpyrazole1carbothioamide AT suchadachantrapromma 34aminophenyl54methoxyphenyl45dihydro1hpyrazole1carbothioamide AT thitiponesuwunwong 34aminophenyl54methoxyphenyl45dihydro1hpyrazole1carbothioamide |
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1725307029155741696 |