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. 2013 Aug 14;69(Pt 9):o1429-30.
doi: 10.1107/S1600536813022307. eCollection 2013.

2-Hy-droxy-methyl-1,3-dimethyl-1H-benzimidazol-3-ium iodide

Affiliations

2-Hy-droxy-methyl-1,3-dimethyl-1H-benzimidazol-3-ium iodide

Mohamed El Hadi Said et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the cation of the title compound, C10H13N2O(+)·I(-), all non-H atoms, with the exception of the O atom, are essentially coplanar, with a maximum deviation of 0.04 (1) Å. In the crystal, the cations and anions are arranged in layers parallel to (100). The cations are connected to the anions via an O-H⋯I hydrogen bond and there are significant π-π stacking inter-actions between cation layers, with centroid-centroid distances in the range 3.606 (5)-3.630 (5) Å. A weak intra-molecular C-H⋯O hydrogen bond is also observed. The crystal studied was an inversion twin with refined components of 0.52 (5) and 0.48 (5).

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I) with displacement ellipsoids drawn at the 50% probability level. H atoms are represented as small spheres of arbitrary radius. Hydrogen bonds are shown as dashed lines.
Fig. 2.
Fig. 2.
Alternating layers of (I) viewed along the b axis showing hydrogen bonds as dashed lines.

References

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