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

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

In the title molecule, C16H13Cl2FN2OS, 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)&...

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Main Authors: N. Anuradha, A. Thiruvalluvar, M. Mahalinga, R. J. Butcher
Format: Article
Language:English
Published: International Union of Crystallography 2008-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808033837
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spelling doaj-10cefdf3f7c54f6080c9471e19c562e52020-11-25T03:36:25ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-11-016411o2160o216010.1107/S16005368080338371-[3-(2,4-Dichloro-5-fluorophenyl)-5-(3-methyl-2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanoneN. AnuradhaA. ThiruvalluvarM. MahalingaR. J. ButcherIn the title molecule, C16H13Cl2FN2OS, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536808033837
collection DOAJ
language English
format Article
sources DOAJ
author N. Anuradha
A. Thiruvalluvar
M. Mahalinga
R. J. Butcher
spellingShingle N. Anuradha
A. Thiruvalluvar
M. Mahalinga
R. J. Butcher
1-[3-(2,4-Dichloro-5-fluorophenyl)-5-(3-methyl-2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Acta Crystallographica Section E
author_facet N. Anuradha
A. Thiruvalluvar
M. Mahalinga
R. J. Butcher
author_sort N. Anuradha
title 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_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_sort 1-[3-(2,4-dichloro-5-fluorophenyl)-5-(3-methyl-2-thienyl)-4,5-dihydro-1h-pyrazol-1-yl]ethanone
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-11-01
description In the title molecule, C16H13Cl2FN2OS, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536808033837
work_keys_str_mv AT nanuradha 1324dichloro5fluorophenyl53methyl2thienyl45dihydro1hpyrazol1ylethanone
AT athiruvalluvar 1324dichloro5fluorophenyl53methyl2thienyl45dihydro1hpyrazol1ylethanone
AT mmahalinga 1324dichloro5fluorophenyl53methyl2thienyl45dihydro1hpyrazol1ylethanone
AT rjbutcher 1324dichloro5fluorophenyl53methyl2thienyl45dihydro1hpyrazol1ylethanone
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