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3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole
In the title compound, C(18)H(11)BrN(4)OS, the imidazothiadiazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothiadiazole and bromoph...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050133/ https://www.ncbi.nlm.nih.gov/pubmed/21522661 http://dx.doi.org/10.1107/S1600536810052232 |
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author | Banu, Afshan Ziaulla, Mohamed Begum, Noor Shahina Lamani, Ravi S. Khazi, I. M. |
author_facet | Banu, Afshan Ziaulla, Mohamed Begum, Noor Shahina Lamani, Ravi S. Khazi, I. M. |
author_sort | Banu, Afshan |
collection | PubMed |
description | In the title compound, C(18)H(11)BrN(4)OS, the imidazothiadiazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothiadiazole and bromophenyl rings are inclined at an angle of 27.34 (3)°. In the crystal, intermolecular C—H⋯N interactions result in chains of molecules along the b and c axes. Moreover, C—H⋯O interactions result in centrosymmetric head-to-head dimers with R (2) (2)(24) graph-set motifs. The molecular packing is further stabilized by π–π stacking interactions between the imidazole rings with a shortest centroid–centroid distance of 3.492 (3) Å. In addition, C—H⋯π interactions are observed in the crystal structure. |
format | Text |
id | pubmed-3050133 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30501332011-04-26 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole Banu, Afshan Ziaulla, Mohamed Begum, Noor Shahina Lamani, Ravi S. Khazi, I. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(11)BrN(4)OS, the imidazothiadiazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothiadiazole and bromophenyl rings are inclined at an angle of 27.34 (3)°. In the crystal, intermolecular C—H⋯N interactions result in chains of molecules along the b and c axes. Moreover, C—H⋯O interactions result in centrosymmetric head-to-head dimers with R (2) (2)(24) graph-set motifs. The molecular packing is further stabilized by π–π stacking interactions between the imidazole rings with a shortest centroid–centroid distance of 3.492 (3) Å. In addition, C—H⋯π interactions are observed in the crystal structure. International Union of Crystallography 2010-12-18 /pmc/articles/PMC3050133/ /pubmed/21522661 http://dx.doi.org/10.1107/S1600536810052232 Text en © Banu 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 Banu, Afshan Ziaulla, Mohamed Begum, Noor Shahina Lamani, Ravi S. Khazi, I. M. 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
title | 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
title_full | 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
title_fullStr | 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
title_full_unstemmed | 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
title_short | 3-{[5-(4-Bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
title_sort | 3-{[5-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050133/ https://www.ncbi.nlm.nih.gov/pubmed/21522661 http://dx.doi.org/10.1107/S1600536810052232 |
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