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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...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Suwunwong, Thitipone, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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
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AT chantraprommasuchada 34bromophenyl54dimethylaminophenyl45dihydro1hpyrazole1carbothioamide