Abstract
In the title compound, C13H27N4 +·I−, the ethylene bridge is distorted from the ideal D 2d symmetry wherein an N—C—C—N planar bridge, around whose C—C bond the C—N and C—H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. In the crystal, adjacent ions are connected by C—H⋯I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C—H⋯I interaction.
Highlights
C13H27N4+I, the ethylene bridge is distorted from the ideal D2d symmetry wherein an N—C—C—
In previous paper we described the synthesis of a series of new N-alkylated quaternary ammonium salts derived from the cyclic aminal 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane by alkylation with alkyl halides according the Menschutkin reaction (Rivera et al, 2011b)
As a part of our interest in complementing the structural information on these quaternary ammonium salts we report the results of the X-ray structure determination of the title compound (I)
Summary
Karla Fejfarováb and Michal Dušekb a Departamento de Quımica, Universidad Nacional de Colombia, Ciudad. Universitaria, Bogotá, Colombia, and bInstitute of Physics ASCR, v.v.i., Na Slovance. Symmetry codes: (i) x þ 1; y; z þ 1; (ii) x 12; y þ 12; z 12. C13H27N4+I, the ethylene bridge is distorted from the ideal D2d symmetry wherein an N—C—C—. H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. Adjacent ions are connected by C—H I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C—H I interaction
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