Information card for entry 2237337

Structure parameters

• Chemical name: 2-(Carboxymethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium chloride
• Formula: C9 H9 Cl N2 O2
• Calculated formula: C9 H9 Cl N2 O2
• SMILES: [Cl-].c12n(cc([nH+]2)CC(=O)O)cccc1
• Title of publication: 2-(Carboxymethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium chloride
• Authors of publication: Yin, Wen-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o211
• a: 5.4032 ± 0.0008 Å
• b: 14.722 ± 0.002 Å
• c: 12.1055 ± 0.0018 Å
• α: 90°
• β: 96.182 ± 0.004°
• γ: 90°
• Cell volume: 957.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes