In the title solvated crystal, C(8)H(5)Br(2)NO(3)·C(3)H(8)O, the acid mol-ecules form inversion dimers by pairwise N-Hâ¯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 inter-poses between adjacent head-tail pairs, resulting in C (3) (3)(10) chains of hydrogen bonds propagating along [100]. The mol-ecules of 2-propanol are disordered over two sets of sites in a 0.598â (8):0.402â (8) ratio. The best-fit planes of the carbamoyl group and benzene ring are inclined by 88.26â (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.
3,5-Di-bromo-4-carbamoyl-benzoic acid 2-propanol monosolvate.
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作者:Noland Wayland E, Herzig Ryan J, Fox Renee J, Tritch Kenneth J
| 期刊: | IUCrdata | 影响因子: | 0.000 |
| 时间: | 2021 | 起止号: | 2021 Apr 20; 6(Pt 4):x210391 |
| doi: | 10.1107/S2414314621003916 | ||
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