Information card for entry 2105113

Structure parameters

• Common name: glutaric acid‒glycine (1/1)
• Chemical name: Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)
• Formula: C7 H13 N O6
• Calculated formula: C7 H13 N O6
• SMILES: [O-]C(=O)C[NH3+].O=C(O)CCCC(=O)O
• Title of publication: Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry
• Authors of publication: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: 287 - 296
• a: 4.911 ± 0.0007 Å
• b: 20.922 ± 0.003 Å
• c: 10.2744 ± 0.0015 Å
• α: 90°
• β: 114.586 ± 0.01°
• γ: 90°
• Cell volume: 960 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes