Cargando…
3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate
In the title solvated crystal, C(8)H(5)Br(2)NO(3)·C(3)H(8)O, the acid molecules form inversion dimers by pairwise N—H⋯O hydrogen bonds between carbamoyl groups and the carboxyl and carbamoyl groups link to form head-to-tail inversion dimers. The 2-propanol hydroxyl group interposes between adjacen...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462333/ https://www.ncbi.nlm.nih.gov/pubmed/36339099 http://dx.doi.org/10.1107/S2414314621003916 |
Sumario: | In the title solvated crystal, C(8)H(5)Br(2)NO(3)·C(3)H(8)O, the acid molecules form inversion dimers by pairwise N—H⋯O hydrogen bonds between carbamoyl groups and the carboxyl and carbamoyl groups link to form head-to-tail inversion dimers. The 2-propanol hydroxyl group interposes between adjacent head-tail pairs, resulting in C (3) (3)(10) chains of hydrogen bonds propagating along [100]. The molecules of 2-propanol are disordered over two sets of sites in a 0.598 (8):0.402 (8) ratio. The best-fit planes of the carbamoyl group and benzene ring are inclined by 88.26 (11)°. This is a greater inclination than was previously reported with CH(3), Cl, F or H in place of the Br atoms, although those analogues did not have a para carboxyl group. [Image: see text] |
---|