Information card for entry 1573581

Structure parameters

• Chemical name: Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)
• Formula: C9 H10 Cl N O6
• Calculated formula: C9 H10 Cl N O6
• SMILES: ClCC(=O)O.[O-]C(=O)C(=O)O.[nH+]1ccccc1
• Title of publication: Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)
• Authors of publication: Sadikhova, Nurlana D.; Muradova, Farida M.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Zangrando, Ennio; Belay, Alebel N.
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 1
• Pages of publication: x241242
• a: 5.6911 ± 0.0004 Å
• b: 7.9862 ± 0.0004 Å
• c: 24.9303 ± 0.0014 Å
• α: 90°
• β: 91.008 ± 0.003°
• γ: 90°
• Cell volume: 1132.91 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No