The crystal structure of 2-(3-nitrophenyl)-1 <i>H</i> -benzimidazole monohydrate revisited
The crystal structure of 2-(3-nitro-phen-yl)-1<i>H</i>-benzimidazole monohydrate, C<sub>13</sub>H<sub>9</sub>N<sub>3</sub>O<sub>2</sub>·H<sub>2</sub>O, has been investigated by single-crystal X-ray diffraction. The benzimidazole derivative had its structure studied previously, but it was described in the <i>P</i>1 space group [Sudha <i>et al.</i>, (2023 ▸). <i>J. Mol. Struct.</i> <b>1286</b>, 135584]. Herein, we report a reexamination of this compound, which this time crystallized in the triclinic centrosymmetric space group <i>P</i>1. 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.
Authors
- Pedro H. O. Santiago (ORCID: https://orcid.org/0000-0001-7841-8480)
- Javier Ellena (ORCID: https://orcid.org/0000-0002-0676-3098)
- Mayra P. Hernández Sánchez
- Estael Ochoa Rodríguez
- Julio Duque Rodríguez
- Armando A. Paneque Quevedo
- Daimí González Caballero
Institutions
- Higher Institute of Technologies and Applied Sciences (CU)
- University of Havana (CU)
- Agricultural University of Havana (CU)
- Institute of Physics (PL)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-12-23
- DOI
- https://doi.org/10.1107/s2056989025011466
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00