3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate

The asymmetric unit of the title compound, C(18)H(18)ClN(3)OS·C(2)H(5)OH, comprises a pyrazoline derivative and an ethanol solvent mol­ecule. In the mol­ecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the eth­oxy­phenyl substituent as the...

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Autores principales: Quah, Ching Kheng, Fun, Hoong-Kun, Suwunwong, Thitipone, Boonnak, Nawong, Chantrapromma, Suchada
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629506/
https://www.ncbi.nlm.nih.gov/pubmed/23634024
http://dx.doi.org/10.1107/S1600536813005369
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author Quah, Ching Kheng
Fun, Hoong-Kun
Suwunwong, Thitipone
Boonnak, Nawong
Chantrapromma, Suchada
author_facet Quah, Ching Kheng
Fun, Hoong-Kun
Suwunwong, Thitipone
Boonnak, Nawong
Chantrapromma, Suchada
author_sort Quah, Ching Kheng
collection PubMed
description The asymmetric unit of the title compound, C(18)H(18)ClN(3)OS·C(2)H(5)OH, comprises a pyrazoline derivative and an ethanol solvent mol­ecule. In the mol­ecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the eth­oxy­phenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The eth­oxy group is coplanar with the attached benzene ring [C—O—C—C(meth­yl) = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline mol­ecules are linked by N—H⋯O(eth­oxy) hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol mol­ecules by N—H⋯O(ethanol) and O(ethanol)—H⋯S hydrogen bonds. C—H⋯π inter­actions are also present.
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spelling pubmed-36295062013-04-30 3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate Quah, Ching Kheng Fun, Hoong-Kun Suwunwong, Thitipone Boonnak, Nawong Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(18)ClN(3)OS·C(2)H(5)OH, comprises a pyrazoline derivative and an ethanol solvent mol­ecule. In the mol­ecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the eth­oxy­phenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The eth­oxy group is coplanar with the attached benzene ring [C—O—C—C(meth­yl) = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline mol­ecules are linked by N—H⋯O(eth­oxy) hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol mol­ecules by N—H⋯O(ethanol) and O(ethanol)—H⋯S hydrogen bonds. C—H⋯π inter­actions are also present. International Union of Crystallography 2013-03-02 /pmc/articles/PMC3629506/ /pubmed/23634024 http://dx.doi.org/10.1107/S1600536813005369 Text en © Quah et al. 2013 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
Quah, Ching Kheng
Fun, Hoong-Kun
Suwunwong, Thitipone
Boonnak, Nawong
Chantrapromma, Suchada
3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate
title 3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate
title_full 3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate
title_fullStr 3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate
title_full_unstemmed 3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate
title_short 3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate
title_sort 3-(4-chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1h-pyrazole-1-carbothio­amide ethanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629506/
https://www.ncbi.nlm.nih.gov/pubmed/23634024
http://dx.doi.org/10.1107/S1600536813005369
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