Information card for entry 2237130

Structure parameters

• Common name: Glycine–phthalic acid (1/1)
• Chemical name: 2-Azaniumylethanoate–phthalic acid (1/1)
• Formula: C10 H11 N O6
• Calculated formula: C10 H11 N O6
• SMILES: O=C(O)c1c(cccc1)C(=O)O.O=C([O-])C[NH3+]
• Title of publication: Glycine–phthalic acid (1/1)
• Authors of publication: Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o57
• a: 7.9657 ± 0.0005 Å
• b: 11.347 ± 0.0007 Å
• c: 23.513 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2125.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes