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3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide

In the title pyrazoline derivative, C(14)H(12)ClN(3)S(2), the thiophene ring is disordered over two orientations with a refined site-occupancy ratio of 0.832 (4):0.168 (4). The pyrazoline ring adopts an envelope conformation with the C atom linking the thiophene ring at the flap. The dihedral angles...

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Autores principales: Fun, Hoong-Kun, Suwunwong, Thitipone, Chantrapromma, Suchada
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274952/
https://www.ncbi.nlm.nih.gov/pubmed/22346905
http://dx.doi.org/10.1107/S1600536811054754
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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 In the title pyrazoline derivative, C(14)H(12)ClN(3)S(2), the thiophene ring is disordered over two orientations with a refined site-occupancy ratio of 0.832 (4):0.168 (4). The pyrazoline ring adopts an envelope conformation with the C atom linking the thiophene ring at the flap. The dihedral angles between the benzene ring and the major and minor components of the thiophene ring are 88.6 (3) and 85.6 (15)°, respectively while the dihedral angle between the disorder components of the ring is 3.1 (16)°. The mean plane of the pyrazoline ring makes dihedral angles of 11.86 (13), 80.1 (3) and 83.0 (15)°, respectively, with the benzene ring, and the major and minor components of the thiophene ring. An intra­molecular N(amide)—H⋯N(pyrazoline) hydrogen bond generates an S(5) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯S and N(amide)—H⋯S inter­actions into a tape along [10[Image: see text]]. C—H⋯π inter­actions are also observed.
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spelling pubmed-32749522012-02-15 3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide Fun, Hoong-Kun Suwunwong, Thitipone Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazoline derivative, C(14)H(12)ClN(3)S(2), the thiophene ring is disordered over two orientations with a refined site-occupancy ratio of 0.832 (4):0.168 (4). The pyrazoline ring adopts an envelope conformation with the C atom linking the thiophene ring at the flap. The dihedral angles between the benzene ring and the major and minor components of the thiophene ring are 88.6 (3) and 85.6 (15)°, respectively while the dihedral angle between the disorder components of the ring is 3.1 (16)°. The mean plane of the pyrazoline ring makes dihedral angles of 11.86 (13), 80.1 (3) and 83.0 (15)°, respectively, with the benzene ring, and the major and minor components of the thiophene ring. An intra­molecular N(amide)—H⋯N(pyrazoline) hydrogen bond generates an S(5) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯S and N(amide)—H⋯S inter­actions into a tape along [10[Image: see text]]. C—H⋯π inter­actions are also observed. International Union of Crystallography 2012-01-07 /pmc/articles/PMC3274952/ /pubmed/22346905 http://dx.doi.org/10.1107/S1600536811054754 Text en © Fun et al. 2012 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-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title 3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_full 3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_fullStr 3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_full_unstemmed 3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_short 3-(4-Chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_sort 3-(4-chloro­phen­yl)-5-(thio­phen-2-yl)-4,5-dihydro-1h-pyrazole-1-carbothio­amide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3274952/
https://www.ncbi.nlm.nih.gov/pubmed/22346905
http://dx.doi.org/10.1107/S1600536811054754
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