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Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide

In the cation of the title mol­ecular salt, C(15)H(18)NO(+)·Br(−), the pyridinium and phenyl rings are inclined to one another by 11.80 (8)°. In the crystal, the Br(−) anion is linked to the cation by a C—H⋯Br hydrogen bond. The cations stack along the b-axis direction and are linked by further C—H⋯...

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Autores principales: Said, Musa A., Aouad, Mohamed R., Hughes, David L., Almehmadi, Meshal A., Messali, Mouslim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730234/
https://www.ncbi.nlm.nih.gov/pubmed/29250397
http://dx.doi.org/10.1107/S2056989017015481
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author Said, Musa A.
Aouad, Mohamed R.
Hughes, David L.
Almehmadi, Meshal A.
Messali, Mouslim
author_facet Said, Musa A.
Aouad, Mohamed R.
Hughes, David L.
Almehmadi, Meshal A.
Messali, Mouslim
author_sort Said, Musa A.
collection PubMed
description In the cation of the title mol­ecular salt, C(15)H(18)NO(+)·Br(−), the pyridinium and phenyl rings are inclined to one another by 11.80 (8)°. In the crystal, the Br(−) anion is linked to the cation by a C—H⋯Br hydrogen bond. The cations stack along the b-axis direction and are linked by further C—H⋯Br inter­actions, and offset π–π inter­actions [inter­centroid distances = 3.5733 (19) and 3.8457 (19) Å], forming slabs parallel to the ab plane. The effects of the C—H⋯X (−) inter­action on the NMR signals of the ortho- and meta-pyridinium protons in a series of related ionic liquids, viz. 4-methyl-1-(4-phen­oxy­but­yl)pyridin-1-ium salts, are reported and discussed.
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spelling pubmed-57302342017-12-15 Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide Said, Musa A. Aouad, Mohamed R. Hughes, David L. Almehmadi, Meshal A. Messali, Mouslim Acta Crystallogr E Crystallogr Commun Research Communications In the cation of the title mol­ecular salt, C(15)H(18)NO(+)·Br(−), the pyridinium and phenyl rings are inclined to one another by 11.80 (8)°. In the crystal, the Br(−) anion is linked to the cation by a C—H⋯Br hydrogen bond. The cations stack along the b-axis direction and are linked by further C—H⋯Br inter­actions, and offset π–π inter­actions [inter­centroid distances = 3.5733 (19) and 3.8457 (19) Å], forming slabs parallel to the ab plane. The effects of the C—H⋯X (−) inter­action on the NMR signals of the ortho- and meta-pyridinium protons in a series of related ionic liquids, viz. 4-methyl-1-(4-phen­oxy­but­yl)pyridin-1-ium salts, are reported and discussed. International Union of Crystallography 2017-11-03 /pmc/articles/PMC5730234/ /pubmed/29250397 http://dx.doi.org/10.1107/S2056989017015481 Text en © Said et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Said, Musa A.
Aouad, Mohamed R.
Hughes, David L.
Almehmadi, Meshal A.
Messali, Mouslim
Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
title Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
title_full Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
title_fullStr Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
title_full_unstemmed Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
title_short Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
title_sort synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen­oxy­prop­yl)pyridinium bromide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730234/
https://www.ncbi.nlm.nih.gov/pubmed/29250397
http://dx.doi.org/10.1107/S2056989017015481
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