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

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 ?-? 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).

SUBMITTER: Said Mel H

PROVIDER: S-EPMC3884380 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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

Said Mohamed El Hadi Mel H Bouacida Sofiane S Merazig Hocine H Belfaitah Ali A Chibani Aissa A Bouraiou Abdelmalek A

Acta crystallographica. Section E, Structure reports online 20130814 Pt 9

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 hydro ...[more]

PMID: 24427061

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