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The crystal structure of 2-(3-nitro-phen-yl)-1H-benzimidazole monohydrate revisited
Daimí González Caballero1, Mayra P Hernández Sánchez1, Javier Alcides Ellena2
1Institute of Materials Science and Technology, Havana, Cuba.
Abstract:
The crystal structure of 2-(3-nitro-phen-yl)-1H-benzimidazole monohydrate, C13H9N3O2·H2O, has been investigated by single-crystal X-ray diffraction. The benzimidazole derivative had its structure studied previously, but it was described in the P1 space group [Sudha et al., (2023 ▸). J. Mol. Struct. 1286, 135584]. Herein, we report a reexamination of this compound, which this time crystallized in the triclinic centrosymmetric space group P1. The benzene ring and the benzimidazole group are almost coplanar, with N-C-C-C torsion angles of -2.2 (3) and -5.9 (4)° in the two independent mol-ecules in the unit cell. The crystal structure features N-H⋯O and O-H⋯N hydrogen bonds and offset π-π stacking inter-actions.
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