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1-Hexyl-1,3,6,8-tetra-aza-tricyclo-[4.3.1.1]undecan-1-ium iodide.

ABSTRACT: In the title compound, C(13)H(27)N(4) (+)·I(-), the ethyl-ene 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 inter-action.

SUBMITTER: Rivera A

PROVIDER: S-EPMC3254358 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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1-Hexyl-1,3,6,8-tetra-aza-tricyclo-[4.3.1.1]undecan-1-ium iodide.

Rivera Augusto A Sadat-Bernal John J Ríos-Motta Jaime J Fejfarová Karla K Dušek Michal M

Acta crystallographica. Section E, Structure reports online 20111203 Pt 1

In the title compound, C(13)H(27)N(4) (+)·I(-), the ethyl-ene 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 ...[more]

PMID: 22259454

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