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3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide
The molecule of the title pyrazole derivative, C(18)H(19)BrN(4)S, is twisted. The central pyrazole ring, which adopts a flattened envelope conformation, is almost coplanar with the 4-bromophenyl ring, whereas it is inclined to the 4-(dimethylamino)phenyl ring making dihedral angles of 1.68 (6) a...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052174/ https://www.ncbi.nlm.nih.gov/pubmed/21522446 http://dx.doi.org/10.1107/S1600536811006106 |
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author | Fun, Hoong-Kun Suwunwong, Thitipone Chantrapromma, Suchada |
author_facet | Fun, Hoong-Kun Suwunwong, Thitipone Chantrapromma, Suchada |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The molecule of the title pyrazole derivative, C(18)H(19)BrN(4)S, is twisted. The central pyrazole ring, which adopts a flattened envelope conformation, is almost coplanar with the 4-bromophenyl ring, whereas it is inclined to the 4-(dimethylamino)phenyl ring making dihedral angles of 1.68 (6) and 85.12 (6)°, respectively. The dihedral angle between the two benzene rings is 86.56 (6)°. The dimethylamino group is slightly twisted from the attached benzene ring [C—C—N—C torsion angles = 8.4 (2) and 8.9 (2)°]. In the crystal, molecules are linked by intermolecular N—H⋯S hydrogen bonds into chains along [2[Image: see text]0]. The crystal is further stabilized by C—H⋯π interactions. |
format | Text |
id | pubmed-3052174 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30521742011-04-26 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide Fun, Hoong-Kun Suwunwong, Thitipone Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title pyrazole derivative, C(18)H(19)BrN(4)S, is twisted. The central pyrazole ring, which adopts a flattened envelope conformation, is almost coplanar with the 4-bromophenyl ring, whereas it is inclined to the 4-(dimethylamino)phenyl ring making dihedral angles of 1.68 (6) and 85.12 (6)°, respectively. The dihedral angle between the two benzene rings is 86.56 (6)°. The dimethylamino group is slightly twisted from the attached benzene ring [C—C—N—C torsion angles = 8.4 (2) and 8.9 (2)°]. In the crystal, molecules are linked by intermolecular N—H⋯S hydrogen bonds into chains along [2[Image: see text]0]. The crystal is further stabilized by C—H⋯π interactions. International Union of Crystallography 2011-02-23 /pmc/articles/PMC3052174/ /pubmed/21522446 http://dx.doi.org/10.1107/S1600536811006106 Text en © Fun 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 Fun, Hoong-Kun Suwunwong, Thitipone Chantrapromma, Suchada 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title | 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full | 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_fullStr | 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full_unstemmed | 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_short | 3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_sort | 3-(4-bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1h-pyrazole-1-carbothioamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052174/ https://www.ncbi.nlm.nih.gov/pubmed/21522446 http://dx.doi.org/10.1107/S1600536811006106 |
work_keys_str_mv | AT funhoongkun 34bromophenyl54dimethylaminophenyl45dihydro1hpyrazole1carbothioamide AT suwunwongthitipone 34bromophenyl54dimethylaminophenyl45dihydro1hpyrazole1carbothioamide AT chantraprommasuchada 34bromophenyl54dimethylaminophenyl45dihydro1hpyrazole1carbothioamide |