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The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
In the title imidazo[2,1-b][1,3,4]thiadiazole derivative, C(19)H(14)ClN(3)OS, the 4-methylbenzyl and chlorophenyl rings are inclined to the planar imidazo[2,1-b][1,3,4]thiadiazole moiety (r.m.s. deviation = 0.012 Å) by 64.5 (1) and 3.7 (1)°, respectively. The molecular structure is primarily st...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050776/ https://www.ncbi.nlm.nih.gov/pubmed/27746941 http://dx.doi.org/10.1107/S2056989016014754 |
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author | Sowmya, A. Anil Kumar, G. N. Kumar, Sujeet Karki, Subhas S. |
author_facet | Sowmya, A. Anil Kumar, G. N. Kumar, Sujeet Karki, Subhas S. |
author_sort | Sowmya, A. |
collection | PubMed |
description | In the title imidazo[2,1-b][1,3,4]thiadiazole derivative, C(19)H(14)ClN(3)OS, the 4-methylbenzyl and chlorophenyl rings are inclined to the planar imidazo[2,1-b][1,3,4]thiadiazole moiety (r.m.s. deviation = 0.012 Å) by 64.5 (1) and 3.7 (1)°, respectively. The molecular structure is primarily stabilized by a strong intramolecular C—H⋯O hydrogen bond, leading to the formation of a pseudo-seven-membered S(7) ring motif, and a short intramolecular C—H⋯N contact forming an S(5) ring motif. In the crystal, molecules are linked by pairs of C—H⋯S hydrogen bonds, forming inversion dimers. The dimers are linked by C—H⋯O and C—H⋯π interactions, forming chains propagating along [110]. |
format | Online Article Text |
id | pubmed-5050776 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507762016-10-14 The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde Sowmya, A. Anil Kumar, G. N. Kumar, Sujeet Karki, Subhas S. Acta Crystallogr E Crystallogr Commun Research Communications In the title imidazo[2,1-b][1,3,4]thiadiazole derivative, C(19)H(14)ClN(3)OS, the 4-methylbenzyl and chlorophenyl rings are inclined to the planar imidazo[2,1-b][1,3,4]thiadiazole moiety (r.m.s. deviation = 0.012 Å) by 64.5 (1) and 3.7 (1)°, respectively. The molecular structure is primarily stabilized by a strong intramolecular C—H⋯O hydrogen bond, leading to the formation of a pseudo-seven-membered S(7) ring motif, and a short intramolecular C—H⋯N contact forming an S(5) ring motif. In the crystal, molecules are linked by pairs of C—H⋯S hydrogen bonds, forming inversion dimers. The dimers are linked by C—H⋯O and C—H⋯π interactions, forming chains propagating along [110]. International Union of Crystallography 2016-09-23 /pmc/articles/PMC5050776/ /pubmed/27746941 http://dx.doi.org/10.1107/S2056989016014754 Text en © Sowmya et al. 2016 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 | Research Communications Sowmya, A. Anil Kumar, G. N. Kumar, Sujeet Karki, Subhas S. The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
title | The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
title_full | The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
title_fullStr | The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
title_full_unstemmed | The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
title_short | The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
title_sort | crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050776/ https://www.ncbi.nlm.nih.gov/pubmed/27746941 http://dx.doi.org/10.1107/S2056989016014754 |
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