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Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.

ABSTRACT: In the cation of the title mol-ecular salt, C₁₅H₁₈NO⁺·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 inter-actions, and offset ?-? inter-actions [inter-centroid distances = 3.5733?(19) and 3.8457?(19)?Å], forming slabs parallel to the ab plane. The effects of the C-H?X^- inter-action on the NMR signals of the ortho- and meta-pyridinium protons in a series of related ionic liquids, viz. 4-methyl-1-(4-phen-oxy-but-yl)pyridin-1-ium salts, are reported and discussed.

SUBMITTER: Said MA

PROVIDER: S-EPMC5730234 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.

Said Musa A MA Aouad Mohamed R MR Hughes David L DL Almehmadi Meshal A MA Messali Mouslim M

Acta crystallographica. Section E, Crystallographic communications 20171103 Pt 12

In the cation of the title mol-ecular salt, C15H18NO+·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 inter-actions, and offset π-π inter-actions [inter-centroid distances = 3.5733 (19) and 3.8457 (19) Å], forming slabs parallel to the ab p ...[more]

PMID: 29250397

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