Abstract
In the title compound, C18H40NO2 +·Br−, the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethylaminium groups and the bromide anions situated on the layer surface. The long alkyl chain in the cation adopts an all-trans conformation. In the crystal structure, molecules are connected by intermolecular O—H⋯Br hydrogen bonds, forming ionic pairs that are further connected into an extended chain structure via C—H⋯O hydrogen-bonding interactions. The crystal is chiral but nearly 90% of atoms in the unit cell are related by a pseudo-inversion center. The crystal shows racemic twinning with a 0.33:0.67 domain ratio.
Highlights
C18H40NO2+Br, the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethylaminium groups and the bromide anions situated on the layer surface
As a contribution to the chemistry of surfactants, we report here the synthesis and crystal structure of the title compound
Symmetry codes: (i) x−1, y, z; (ii) −x+2, y−1/2, −z+1
Summary
C18H40NO2+Br, the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethylaminium groups and the bromide anions situated on the layer surface. H Br hydrogen bonds, forming ionic pairs that are further connected into an extended chain structure via C—H O hydrogen-bonding interactions. 90% of atoms in the unit cell are related by a pseudo-inversion center. Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL
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