Information card for entry 2023552

Structure parameters

• Common name: 5-Bromosalicylic acid dimethylformamide monosolvate
• Chemical name: 5-Bromo-2-hydroxybenzoic acid dimethylformamide monosolvate
• Formula: C10 H12 Br N O4
• Calculated formula: C10 H12 Br N O4
• Title of publication: Crystal structure and Hirshfeld surface of 5-bromosalicylic acid dimethylformamide monosolvate
• Authors of publication: Akerele, Oluwatoyin; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 8.5524 ± 0.0003 Å
• b: 9.5175 ± 0.0003 Å
• c: 14.9678 ± 0.0005 Å
• α: 95.923 ± 0.001°
• β: 99.795 ± 0.002°
• γ: 100.461 ± 0.001°
• Cell volume: 1169.27 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No