title: Crystal structure of 3-(2-hy-droxy-eth-yl)-2-methyl-sulfanyl-6-nitro-3H-benzimidazol-1-ium chloride monohydrate.
abstract: In the cation of the title hydrated molecular salt, C10H12N3O3S+·Cl-·H2O, the benzimidazolium ring system is almost planar (r.m.s. deviation = 0.006 Å) and the nitro group is inclined at an angle of 4.86 (9)° to this plane. In the crystal, C-H⋯O hydrogen bonds form centrosymmetricR22(20) dimers and these are further aggregated through N-H⋯O and O-H⋯Cl hydrogen bonds involving the water mol-ecules and chloride anions. Aromatic π-π stacking inter-actions are also found between two parallel benzene rings or the benzene and imidazolium rings, with centroid-centroid distances of 3.5246 (9) and 3.7756 (9) Å, respectively. Analysis of the bond lengths and comparison with related compounds show that the nitro substituent is not involved in conjugation with the adjacent π-system and hence has no effect on the charge distribution of the heterocyclic ring.
authors.affiliation: Unité Mixte de Recherche et d'Innovation en Electronique et d'Electricité Appliquées (UMRI EEA), Equipe de Recherche: Instrumentation Image et Spectroscopie (L2IS), DFR-GEE, Institut National Polytechnique Félix Houphouët-Boigny (INP-HB), BP 1093, Yamoussoukro, Côte d'Ivoire, Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: Akoun
authors.initials: A
authors.lastname: Abou
authors.affiliation: Laboratoire de Chimie Organique, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: Siomenan
authors.initials: S
authors.lastname: Coulibali
authors.affiliation: Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: Rita
authors.initials: R
authors.lastname: Kakou-Yao
authors.affiliation: Unité Mixte de Recherche et d'Innovation en Electronique et d'Electricité Appliquées (UMRI EEA)., Equipe de Recherche: Instrumentation Image et Spectroscopie (L2IS), DFR-GEE, Institut National Polytechnique Félix Houphouët-Boigny (INP-HB), BP 1093, Yamoussoukro, Côte d'Ivoire.
authors.forename: T Jérémie
authors.initials: TJ
authors.lastname: Zoueu
authors.affiliation: Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: A Jules
authors.initials: AJ
authors.lastname: Tenon
keywords: benzimidazole derivative; crystal structure; hydrogen bonding; π–π inter­actions