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Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione
In the title compound, C(20)H(14)BrN(3)O(3), the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthal...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438838/ https://www.ncbi.nlm.nih.gov/pubmed/26029429 http://dx.doi.org/10.1107/S2056989015004429 |
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author | Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. |
author_facet | Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. |
author_sort | Raja, Rajamani |
collection | PubMed |
description | In the title compound, C(20)H(14)BrN(3)O(3), the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthalene ring system by 0.029 (2) and −0.051 (2) Å. In the crystal, molecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linked via C—H⋯O and π–π stacking interactions [centroid–centroid distance = 3.4451 (14) Å], forming slabs parallel to the bc plane. |
format | Online Article Text |
id | pubmed-4438838 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44388382015-05-30 Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(20)H(14)BrN(3)O(3), the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthalene ring system by 0.029 (2) and −0.051 (2) Å. In the crystal, molecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linked via C—H⋯O and π–π stacking interactions [centroid–centroid distance = 3.4451 (14) Å], forming slabs parallel to the bc plane. International Union of Crystallography 2015-03-11 /pmc/articles/PMC4438838/ /pubmed/26029429 http://dx.doi.org/10.1107/S2056989015004429 Text en © Raja et al. 2015 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 | Data Reports Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
title | Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
title_full | Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
title_fullStr | Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
title_full_unstemmed | Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
title_short | Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
title_sort | crystal structure of 2-{[1-(4-bromobenzyl)-1h-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438838/ https://www.ncbi.nlm.nih.gov/pubmed/26029429 http://dx.doi.org/10.1107/S2056989015004429 |
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