Information card for entry 2237650

Structure parameters

• Chemical name: 2-Amino-5-bromopyridinium 5-chloro-2-hydroxybenzoate
• Formula: C12 H10 Br Cl N2 O3
• Calculated formula: C12 H10 Br Cl N2 O3
• SMILES: Brc1ccc([nH+]c1)N.Clc1ccc(O)c(c1)C(=O)[O-]
• Title of publication: 2-Amino-5-bromopyridinium 5-chloro-2-hydroxybenzoate
• Authors of publication: Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o537 - o538
• a: 8.9769 ± 0.0017 Å
• b: 5.6601 ± 0.0012 Å
• c: 12.753 ± 0.002 Å
• α: 90°
• β: 90.662 ± 0.005°
• γ: 90°
• Cell volume: 647.9 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes