Information card for entry 2105115

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: 4.896 ± 0.0006 Å
• b: 20.878 ± 0.002 Å
• c: 10.2701 ± 0.0013 Å
• α: 90°
• β: 114.634 ± 0.009°
• γ: 90°
• Cell volume: 954.3 ± 0.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes