Information card for entry 2313063

Structure parameters

• Common name: 2-Amino-4-methylpyridin-1-ium hippurate dihydrate
• Chemical name: 2-Amino-4-methylpyridin-1-ium 2-(phenylformamido)acetate dihydrate
• Formula: C15 H21 N3 O5
• Calculated formula: C15 H21 N3 O5
• Title of publication: Synthesis and structure of 2-amino-4-methyl-pyridin-1-ium hippurate dihydrate.
• Authors of publication: Vetrivel, Vanitha; Marimuthu, Nishandhini; Balakrishnan, Thangavelu
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 702 - 706
• a: 15.137 ± 0.003 Å
• b: 7.3028 ± 0.0014 Å
• c: 30.583 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3380.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No