Cargando…
1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde
There are two molecules in the asymmetric unit of the title imidazole derivative, C(20)H(16)ClFN(2)OS(2). In one molecule, the dithiolane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chlorop...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051534/ https://www.ncbi.nlm.nih.gov/pubmed/21523151 http://dx.doi.org/10.1107/S1600536811002595 |
_version_ | 1782199501947142144 |
---|---|
author | Fun, Hoong-Kun Chantrapromma, Suchada Sumangala, V. Nagaraja, G. K. Poojary, Boja |
author_facet | Fun, Hoong-Kun Chantrapromma, Suchada Sumangala, V. Nagaraja, G. K. Poojary, Boja |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | There are two molecules in the asymmetric unit of the title imidazole derivative, C(20)H(16)ClFN(2)OS(2). In one molecule, the dithiolane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chlorophenyl and 2-fluorophenyl rings, respectively, in one molecule; in the other molecule, the corresponding angles are 82.72 (9) and 17.39 (10)°. In the crystal, molecules are linked by weak C—H⋯O interactions and these linked molecules are stacked along the b axis by π–π interactions with a centroid–centroid distance of 3.4922 (11) Å. In addition, π–π interactions between the imidazole and 2-fluorophenyl rings are also observed, with centroid–centroid distances of 3.4867 (11) and 3.4326 (10) Å. The crystal is further consolidated by weak C—H⋯π interactions. Cl⋯S [3.5185 (8) Å], C⋯O [3.192 (3) Å] and C⋯C [3.326 (2)–3.393 (3) Å] short contacts are also observed. |
format | Text |
id | pubmed-3051534 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30515342011-04-26 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde Fun, Hoong-Kun Chantrapromma, Suchada Sumangala, V. Nagaraja, G. K. Poojary, Boja Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two molecules in the asymmetric unit of the title imidazole derivative, C(20)H(16)ClFN(2)OS(2). In one molecule, the dithiolane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chlorophenyl and 2-fluorophenyl rings, respectively, in one molecule; in the other molecule, the corresponding angles are 82.72 (9) and 17.39 (10)°. In the crystal, molecules are linked by weak C—H⋯O interactions and these linked molecules are stacked along the b axis by π–π interactions with a centroid–centroid distance of 3.4922 (11) Å. In addition, π–π interactions between the imidazole and 2-fluorophenyl rings are also observed, with centroid–centroid distances of 3.4867 (11) and 3.4326 (10) Å. The crystal is further consolidated by weak C—H⋯π interactions. Cl⋯S [3.5185 (8) Å], C⋯O [3.192 (3) Å] and C⋯C [3.326 (2)–3.393 (3) Å] short contacts are also observed. International Union of Crystallography 2011-01-26 /pmc/articles/PMC3051534/ /pubmed/21523151 http://dx.doi.org/10.1107/S1600536811002595 Text en © Fun et al. 2011 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 Fun, Hoong-Kun Chantrapromma, Suchada Sumangala, V. Nagaraja, G. K. Poojary, Boja 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde |
title | 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde |
title_full | 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde |
title_fullStr | 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde |
title_full_unstemmed | 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde |
title_short | 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde |
title_sort | 1-{4-chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1h-imidazole-5-carbaldehyde |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051534/ https://www.ncbi.nlm.nih.gov/pubmed/21523151 http://dx.doi.org/10.1107/S1600536811002595 |
work_keys_str_mv | AT funhoongkun 14chloro222fluorophenyl13dithiolan2ylphenyl2methyl1himidazole5carbaldehyde AT chantraprommasuchada 14chloro222fluorophenyl13dithiolan2ylphenyl2methyl1himidazole5carbaldehyde AT sumangalav 14chloro222fluorophenyl13dithiolan2ylphenyl2methyl1himidazole5carbaldehyde AT nagarajagk 14chloro222fluorophenyl13dithiolan2ylphenyl2methyl1himidazole5carbaldehyde AT poojaryboja 14chloro222fluorophenyl13dithiolan2ylphenyl2methyl1himidazole5carbaldehyde |