The crystal structure of 2-(3-nitrophenyl)-1 H -benzimidazole monohydrate revisited
Year: 2025
Type: article
Abstract: The crystal structure of 2-(3-nitrophenyl)-1 H -benzimidazole monohydrate, C 13 H 9 N 3 O 2 ·H 2 O, has been investigated by single-crystal X-ray diffraction. The benzimidazole derivative had its structure studied previously, but it was described in the P 1 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 P 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 molecules in the unit cell. The crystal structure features N—H...O and O—H...N hydrogen bonds and offset π–π stacking interactions.
Institutions: University of Havana, Instituto de Física de São Carlos
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W7119160503
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