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5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole
The title compound, C(18)H(16)N(4)O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH(2) group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å. It forms interplanar ang...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971225/ https://www.ncbi.nlm.nih.gov/pubmed/21578313 http://dx.doi.org/10.1107/S1600536809040100 |
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author | Doumbia, Mohamadou Lamine Bouhfid, Rachid Essassi, El Mokhtar El Ammari, Lahcen |
author_facet | Doumbia, Mohamadou Lamine Bouhfid, Rachid Essassi, El Mokhtar El Ammari, Lahcen |
author_sort | Doumbia, Mohamadou Lamine |
collection | PubMed |
description | The title compound, C(18)H(16)N(4)O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH(2) group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å. It forms interplanar angles of 70.03 (7)° with the isoxazole ring and 81.68 (7)° with the pyridine ring; the two latter rings are also planar, the maximum deviations from the mean planes being 0.0028 (15) and 0.0047 (12) Å, respectively. In the crystal, weak intermolecular non-classical C—H⋯N hydrogen bonds link the molecules, forming a zigzag-like chain parallel to the b axis. A weak intramolecular C—H⋯N hydrogen bond may help to define the conformation of the molecule. |
format | Text |
id | pubmed-2971225 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29712252010-12-30 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole Doumbia, Mohamadou Lamine Bouhfid, Rachid Essassi, El Mokhtar El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(16)N(4)O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH(2) group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å. It forms interplanar angles of 70.03 (7)° with the isoxazole ring and 81.68 (7)° with the pyridine ring; the two latter rings are also planar, the maximum deviations from the mean planes being 0.0028 (15) and 0.0047 (12) Å, respectively. In the crystal, weak intermolecular non-classical C—H⋯N hydrogen bonds link the molecules, forming a zigzag-like chain parallel to the b axis. A weak intramolecular C—H⋯N hydrogen bond may help to define the conformation of the molecule. International Union of Crystallography 2009-10-10 /pmc/articles/PMC2971225/ /pubmed/21578313 http://dx.doi.org/10.1107/S1600536809040100 Text en © Doumbia et al. 2009 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 Doumbia, Mohamadou Lamine Bouhfid, Rachid Essassi, El Mokhtar El Ammari, Lahcen 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole |
title | 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole |
title_full | 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole |
title_fullStr | 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole |
title_full_unstemmed | 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole |
title_short | 5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole |
title_sort | 5-methyl-3-[1-(2-pyridylmethyl)-1h-benzimidazol-2-ylmethyl]isoxazole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971225/ https://www.ncbi.nlm.nih.gov/pubmed/21578313 http://dx.doi.org/10.1107/S1600536809040100 |
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