Cargando…
Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the title compound, C(15)H(15)N(3)S(2), the central pyrazole ring adopts a twisted conformation on the –CH—CH(2)– bond. Its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)° with those of the thiophene and toluene rings, respectively. The carbothiamide group [C(=S)—N] is inclined to...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518985/ https://www.ncbi.nlm.nih.gov/pubmed/26279862 http://dx.doi.org/10.1107/S2056989015010774 |
_version_ | 1782383440087220224 |
---|---|
author | Naveen, S. Pavithra, G. Abdoh, Muneer Ajay Kumar, K. Warad, Ismail Lokanath, N. K. |
author_facet | Naveen, S. Pavithra, G. Abdoh, Muneer Ajay Kumar, K. Warad, Ismail Lokanath, N. K. |
author_sort | Naveen, S. |
collection | PubMed |
description | In the title compound, C(15)H(15)N(3)S(2), the central pyrazole ring adopts a twisted conformation on the –CH—CH(2)– bond. Its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)° with those of the thiophene and toluene rings, respectively. The carbothiamide group [C(=S)—N] is inclined to the pyrazole ring mean plane by 16.8 (2)°. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N—H⋯π interactions present. Between the chains there are weak parallel slipped π–π interactions involving inversion-related thiophene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å]. |
format | Online Article Text |
id | pubmed-4518985 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189852015-08-14 Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide Naveen, S. Pavithra, G. Abdoh, Muneer Ajay Kumar, K. Warad, Ismail Lokanath, N. K. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(15)H(15)N(3)S(2), the central pyrazole ring adopts a twisted conformation on the –CH—CH(2)– bond. Its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)° with those of the thiophene and toluene rings, respectively. The carbothiamide group [C(=S)—N] is inclined to the pyrazole ring mean plane by 16.8 (2)°. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N—H⋯π interactions present. Between the chains there are weak parallel slipped π–π interactions involving inversion-related thiophene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å]. International Union of Crystallography 2015-06-10 /pmc/articles/PMC4518985/ /pubmed/26279862 http://dx.doi.org/10.1107/S2056989015010774 Text en © Naveen et al. 2015 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 | Research Communications Naveen, S. Pavithra, G. Abdoh, Muneer Ajay Kumar, K. Warad, Ismail Lokanath, N. K. Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title | Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full | Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_fullStr | Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_full_unstemmed | Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_short | Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
title_sort | crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518985/ https://www.ncbi.nlm.nih.gov/pubmed/26279862 http://dx.doi.org/10.1107/S2056989015010774 |
work_keys_str_mv | AT naveens crystalstructureof3thiophen2yl5ptolyl45dihydro1hpyrazole1carbothioamide AT pavithrag crystalstructureof3thiophen2yl5ptolyl45dihydro1hpyrazole1carbothioamide AT abdohmuneer crystalstructureof3thiophen2yl5ptolyl45dihydro1hpyrazole1carbothioamide AT ajaykumark crystalstructureof3thiophen2yl5ptolyl45dihydro1hpyrazole1carbothioamide AT waradismail crystalstructureof3thiophen2yl5ptolyl45dihydro1hpyrazole1carbothioamide AT lokanathnk crystalstructureof3thiophen2yl5ptolyl45dihydro1hpyrazole1carbothioamide |