5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

The title compound, C(22)H(24)N(2)OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter­molecular C—H⋯O inter­actions are observed. The dihedral angles between the planes of the pyrazole and phenyl rings, and between the benz...

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Autor principal: Wang, Chen-Yi
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915325/
https://www.ncbi.nlm.nih.gov/pubmed/21200835
http://dx.doi.org/10.1107/S160053680706597X
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author Wang, Chen-Yi
author_facet Wang, Chen-Yi
author_sort Wang, Chen-Yi
collection PubMed
description The title compound, C(22)H(24)N(2)OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter­molecular C—H⋯O inter­actions are observed. The dihedral angles between the planes of the pyrazole and phenyl rings, and between the benzene and pyrazole rings are 54.2 (2) and 25.0 (3)°, respectively. The methyl groups of the tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35.
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spelling pubmed-29153252010-12-30 5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde Wang, Chen-Yi Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(22)H(24)N(2)OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter­molecular C—H⋯O inter­actions are observed. The dihedral angles between the planes of the pyrazole and phenyl rings, and between the benzene and pyrazole rings are 54.2 (2) and 25.0 (3)°, respectively. The methyl groups of the tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35. International Union of Crystallography 2007-12-12 /pmc/articles/PMC2915325/ /pubmed/21200835 http://dx.doi.org/10.1107/S160053680706597X Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Wang, Chen-Yi
5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
title 5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
title_full 5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
title_fullStr 5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
title_full_unstemmed 5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
title_short 5-(4-tert-Butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
title_sort 5-(4-tert-butyl­benzyl­sulfan­yl)-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915325/
https://www.ncbi.nlm.nih.gov/pubmed/21200835
http://dx.doi.org/10.1107/S160053680706597X
work_keys_str_mv AT wangchenyi 54tertbutylbenzylsulfanyl3methyl1phenyl1hpyrazole4carbaldehyde

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