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5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate
In the title compound, C(18)H(13)ClN(2)OS·CH(3)OH, the dihedral angle between the benzimidazole group and the naphthyloxy moiety [82.89 (5)°] very near to orthogonality. The H atom in the five-membered ring is disordered with equal occupancies at the two N atoms and the H atom of the methanolic hy...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914104/ https://www.ncbi.nlm.nih.gov/pubmed/24527009 http://dx.doi.org/10.1107/S1600536813033709 |
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author | Flores-Ramos, Miguel Castillo, Rafael Hernández-Campos, Alicia Flores-Alamo, Marcos |
author_facet | Flores-Ramos, Miguel Castillo, Rafael Hernández-Campos, Alicia Flores-Alamo, Marcos |
author_sort | Flores-Ramos, Miguel |
collection | PubMed |
description | In the title compound, C(18)H(13)ClN(2)OS·CH(3)OH, the dihedral angle between the benzimidazole group and the naphthyloxy moiety [82.89 (5)°] very near to orthogonality. The H atom in the five-membered ring is disordered with equal occupancies at the two N atoms and the H atom of the methanolic hydroxy group is disordered with equal occupancies over two sites at the O atom. The methanol molecule acts as a hydrogen-bond acceptor for the amino H atom and donates a hydrogen bond to the nonprotonated ring N atom. As a result, chains are formed running along the a axis. |
format | Online Article Text |
id | pubmed-3914104 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39141042014-02-13 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate Flores-Ramos, Miguel Castillo, Rafael Hernández-Campos, Alicia Flores-Alamo, Marcos Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(13)ClN(2)OS·CH(3)OH, the dihedral angle between the benzimidazole group and the naphthyloxy moiety [82.89 (5)°] very near to orthogonality. The H atom in the five-membered ring is disordered with equal occupancies at the two N atoms and the H atom of the methanolic hydroxy group is disordered with equal occupancies over two sites at the O atom. The methanol molecule acts as a hydrogen-bond acceptor for the amino H atom and donates a hydrogen bond to the nonprotonated ring N atom. As a result, chains are formed running along the a axis. International Union of Crystallography 2013-12-21 /pmc/articles/PMC3914104/ /pubmed/24527009 http://dx.doi.org/10.1107/S1600536813033709 Text en © Flores-Ramos et al. 2014 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 Flores-Ramos, Miguel Castillo, Rafael Hernández-Campos, Alicia Flores-Alamo, Marcos 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate |
title | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate |
title_full | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate |
title_fullStr | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate |
title_full_unstemmed | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate |
title_short | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate |
title_sort | 5-chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1h-benzimidazole methanol monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914104/ https://www.ncbi.nlm.nih.gov/pubmed/24527009 http://dx.doi.org/10.1107/S1600536813033709 |
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