Information card for entry 2209941

Structure parameters

• Chemical name: 4-Amino-(1-carboxymethyl)pyridinium chloride
• Formula: C7 H9 Cl N2 O2
• Calculated formula: C7 H9 Cl N2 O2
• SMILES: [Cl-].OC(=O)C[n+]1ccc(N)cc1
• Title of publication: 4-Amino-(1-carboxymethyl)pyridinium chloride
• Authors of publication: Seethalakshmi, T.; Venkatesan, P.; Fronczek, F. R.; Kaliannan, P.; Thamotharan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3389 - o3390
• a: 4.4324 ± 0.0005 Å
• b: 8.8524 ± 0.001 Å
• c: 21.431 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 840.9 ± 0.18 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes