4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate

The crystal structure of the title compound, C(29)H(16)F(6)N(2)S(2)·0.5CHCl(3), consists of mol­ecules with disordered perfluoro­cyclo­pentene rings [occupancy ratio 0.685 (3):0.315 (3)] and close F⋯F contacts (in the range 2.45–2.73 Å) between mol­ecules. The short contacts are associated with the...

Descripción completa

Detalles Bibliográficos
Autores principales: El-Hiti, Gamal A., Smith, Keith, Masmali, Ali, Balakit, Asim A., Kariuki, Benson M.
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/PMC3772474/
https://www.ncbi.nlm.nih.gov/pubmed/24046617
http://dx.doi.org/10.1107/S1600536813014852
_version_ 1782284339060408320
author El-Hiti, Gamal A.
Smith, Keith
Masmali, Ali
Balakit, Asim A.
Kariuki, Benson M.
author_facet El-Hiti, Gamal A.
Smith, Keith
Masmali, Ali
Balakit, Asim A.
Kariuki, Benson M.
author_sort El-Hiti, Gamal A.
collection PubMed
description The crystal structure of the title compound, C(29)H(16)F(6)N(2)S(2)·0.5CHCl(3), consists of mol­ecules with disordered perfluoro­cyclo­pentene rings [occupancy ratio 0.685 (3):0.315 (3)] and close F⋯F contacts (in the range 2.45–2.73 Å) between mol­ecules. The short contacts are associated with the disorder. The dihedral angle between thiophene rings is 57.44 (8)°. The 5-(4-cyano­phen­yl)-3-methyl-2-thienyl groups of adjacent mol­ecules are parallel, leading to zigzag chains of mol­ecules along [101]. The dihedral angles between each thiophene ring and its adjacent cyanobenzene ring are 8.9 (2) and 7.15 (10)°.
format Online
Article
Text
id pubmed-3772474
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-37724742013-09-17 4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate El-Hiti, Gamal A. Smith, Keith Masmali, Ali Balakit, Asim A. Kariuki, Benson M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(29)H(16)F(6)N(2)S(2)·0.5CHCl(3), consists of mol­ecules with disordered perfluoro­cyclo­pentene rings [occupancy ratio 0.685 (3):0.315 (3)] and close F⋯F contacts (in the range 2.45–2.73 Å) between mol­ecules. The short contacts are associated with the disorder. The dihedral angle between thiophene rings is 57.44 (8)°. The 5-(4-cyano­phen­yl)-3-methyl-2-thienyl groups of adjacent mol­ecules are parallel, leading to zigzag chains of mol­ecules along [101]. The dihedral angles between each thiophene ring and its adjacent cyanobenzene ring are 8.9 (2) and 7.15 (10)°. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772474/ /pubmed/24046617 http://dx.doi.org/10.1107/S1600536813014852 Text en © El-Hiti 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
El-Hiti, Gamal A.
Smith, Keith
Masmali, Ali
Balakit, Asim A.
Kariuki, Benson M.
4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
title 4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
title_full 4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
title_fullStr 4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
title_full_unstemmed 4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
title_short 4-(5-{2-[5-(4-Cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
title_sort 4-(5-{2-[5-(4-cyano­phen­yl)-3-methyl­thio­phen-2-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pent-1-en-1-yl}-4-methyl­thio­phen-2-yl)benzo­nitrile chloro­form hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772474/
https://www.ncbi.nlm.nih.gov/pubmed/24046617
http://dx.doi.org/10.1107/S1600536813014852
work_keys_str_mv AT elhitigamala 45254cyanophenyl3methylthiophen2yl334455hexafluorocyclopent1en1yl4methylthiophen2ylbenzonitrilechloroformhemisolvate
AT smithkeith 45254cyanophenyl3methylthiophen2yl334455hexafluorocyclopent1en1yl4methylthiophen2ylbenzonitrilechloroformhemisolvate
AT masmaliali 45254cyanophenyl3methylthiophen2yl334455hexafluorocyclopent1en1yl4methylthiophen2ylbenzonitrilechloroformhemisolvate
AT balakitasima 45254cyanophenyl3methylthiophen2yl334455hexafluorocyclopent1en1yl4methylthiophen2ylbenzonitrilechloroformhemisolvate
AT kariukibensonm 45254cyanophenyl3methylthiophen2yl334455hexafluorocyclopent1en1yl4methylthiophen2ylbenzonitrilechloroformhemisolvate

Ejemplares similares