1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

In the title mol­ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio­phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio­phene and benz...

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Detalles Bibliográficos
Autores principales: Anuradha, N., Thiruvalluvar, A., Mahalinga, M., Butcher, R. J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959565/
https://www.ncbi.nlm.nih.gov/pubmed/21581020
http://dx.doi.org/10.1107/S1600536808033837
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author Anuradha, N.
Thiruvalluvar, A.
Mahalinga, M.
Butcher, R. J.
author_facet Anuradha, N.
Thiruvalluvar, A.
Mahalinga, M.
Butcher, R. J.
author_sort Anuradha, N.
collection PubMed
description In the title mol­ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio­phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio­phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter­molecular C—H⋯O hydrogen bonds. A short inter­molecular Cl⋯S contact of 3.4250 (13) Å is also found.
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spelling pubmed-29595652010-12-30 1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone Anuradha, N. Thiruvalluvar, A. Mahalinga, M. Butcher, R. J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(16)H(13)Cl(2)FN(2)OS, the dihedral angle between the thio­phene and benzene rings is 80.34 (12)°. The pyrazoline ring is in an envelope conformation, and the plane through the four coplanar atoms makes dihedral angles of 85.13 (9) and 6.89 (10)° with the thio­phene and benzene rings, respectively. The C and O atoms of the acetyl group are nearly coplanar with the attached pyrazoline ring. In the crystal structure, inversion dimers arise from pairs of inter­molecular C—H⋯O hydrogen bonds. A short inter­molecular Cl⋯S contact of 3.4250 (13) Å is also found. International Union of Crystallography 2008-10-22 /pmc/articles/PMC2959565/ /pubmed/21581020 http://dx.doi.org/10.1107/S1600536808033837 Text en © Anuradha et al. 2008 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
Anuradha, N.
Thiruvalluvar, A.
Mahalinga, M.
Butcher, R. J.
1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title 1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_full 1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_fullStr 1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_full_unstemmed 1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_short 1-[3-(2,4-Dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_sort 1-[3-(2,4-dichloro-5-fluoro­phen­yl)-5-(3-methyl-2-thien­yl)-4,5-dihydro-1h-pyrazol-1-yl]ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959565/
https://www.ncbi.nlm.nih.gov/pubmed/21581020
http://dx.doi.org/10.1107/S1600536808033837
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AT mahalingam 1324dichloro5fluorophenyl53methyl2thienyl45dihydro1hpyrazol1ylethanone
AT butcherrj 1324dichloro5fluorophenyl53methyl2thienyl45dihydro1hpyrazol1ylethanone

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