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Crystal structure of benzimidazolium salicylate.

ABSTRACT: In the anion of the title mol-ecular salt, C7H7N2 (+)·C7H5O3 (-) (systematic name: 1H-benzimidazol-3-ium 2-hy-droxy-ben-zo-ate), there is an intra-molecular O-H?O hydrogen bond that generates an S(6) ring motif. The CO2 group makes a dihedral angle of 5.33?(15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88?(5)°. Two cations bridge two anions via two pairs of N-H?O hydrogen bonds, enclosing an R (4) 4(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linked via C-H?O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by C-H?? and ?-? inter-actions [inter-centroid distances = 3.4156?(7) and 3.8196?(8)?Å], forming a three-dimensional structure.

SUBMITTER: Amudha M

PROVIDER: S-EPMC4647433 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of benzimidazolium salicylate.

Amudha M M Kumar P Praveen PP Chakkaravarthi G G

Acta crystallographica. Section E, Crystallographic communications 20150926 Pt 10

In the anion of the title mol-ecular salt, C7H7N2 (+)·C7H5O3 (-) (systematic name: 1H-benzimidazol-3-ium 2-hy-droxy-ben-zo-ate), there is an intra-molecular O-H⋯O hydrogen bond that generates an S(6) ring motif. The CO2 group makes a dihedral angle of 5.33 (15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88 (5)°. Two cations bridge two anions via two pairs of N-H⋯O hydrogen bonds, enclosing an R (4) 4(16) ring moti ...[more]

PMID: 26594483

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