Abstract
The title compound, C14H9Br2N3O·0.5C2H5OH, crystallizes with two 2-[(1H-benzimidazol-2-yl)iminomethyl]-4,6-dibromophenol molecules and one ethanol solvent molecule in the asymmetric unit. The benzene and benzimidazole rings subtend dihedral angles of 4.5 (3) and 5.2 (2)° in the two molecules. In the crystal, one molecule presents π–π stacking with the equivalent molecule related by inversion, at a distance of 3.30 Å (separation between molecular mean planes). A three-dimensional network is formed through N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds.
Highlights
Key Laboratory of Nonferrous Metal Materials and Processing Technology, Department of Material and Chemical Engineering, Guilin University of Technology, Ministry of Education, Guilin 541004, People’s Republic of China
One molecule presents – stacking with the equivalent molecule related by inversion, at a distance of 3.30 Å
The benzene and benzimidazole rings are almost in the same plane, and the dihedral angle between the benzene and benzimidazole rings is 4.5 (3) and 5.2 (2)° for each crystallographically independent molecule (Fig. 1). π–π stacking interactions are observed between the benzene and benzimidazole rings of molecules C1···C14 related by inversion: the dihedral angle between stacked molecules is 0°, and the separation between mean planes formed by the benzene and the benzimidazole rings in the molecules is 3.487 Å (Fig. 2)
Summary
Key Laboratory of Nonferrous Metal Materials and Processing Technology, Department of Material and Chemical Engineering, Guilin University of Technology, Ministry of Education, Guilin 541004, People’s Republic of China R factor = 0.051; wR factor = 0.133; data-to-parameter ratio = 16.3.
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