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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...

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Autores principales: Naveen, S., Pavithra, G., Abdoh, Muneer, Ajay Kumar, K., Warad, Ismail, Lokanath, N. K.
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
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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].
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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
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