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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...

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Autores principales: Banu, Afshan, Ziaulla, Mohamed, Begum, Noor Shahina, Lamani, Ravi S., Khazi, I. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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