Said Musa A, Aouad Mohamed R, Hughes David L, Almehmadi Meshal A, Messali Mouslim
Department of Chemistry, Taibah University, 30002, Al-Madina Al-Mounawara, Saudi Arabia.
Laboratoire de Chimie & Electrochimie des Complexes Métalliques (LCECM), USTO-MB, University of Sciences and Technology Mohamed Boudiaf, BP 1505 Oran, El M'nouar, Algeria.
Acta Crystallogr E Crystallogr Commun. 2017 Nov 3;73(Pt 12):1831-1834. doi: 10.1107/S2056989017015481. eCollection 2017 Dec 1.
In the cation of the title mol-ecular salt, CHNO·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 -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 plane. The effects of the C-H⋯ inter-action on the NMR signals of the and pyridinium protons in a series of related ionic liquids, . 4-methyl-1-(4-phen-oxy-but-yl)pyridin-1-ium salts, are reported and discussed.
在标题分子盐CHNO·Br的阳离子中，吡啶鎓环和苯环彼此间倾斜11.80 (8)°。在晶体中，Br⁻阴离子通过C—H⋯Br氢键与阳离子相连。阳离子沿c轴方向堆积，并通过进一步的C—H⋯Br相互作用以及偏移π-π相互作用（质心间距 = 3.5733 (19) 和3.8457 (19) Å）相连，形成平行于bc平面的层板。报道并讨论了C—H⋯相互作用对一系列相关离子液体（4-甲基-1-(4-苯氧基丁基)吡啶-1-鎓盐）中甲基和吡啶鎓质子的NMR信号的影响。
