Information card for entry 2018173

Structure parameters

• Common name: glutaric acid‒glycine (1/1)
• Chemical name: glutaric acid‒glycine (1/1)
• Formula: C7 H13 N O6
• Calculated formula: C7 H13 N O6
• SMILES: C(=O)(C[NH3+])[O-].C(=O)(CCCC(=O)O)O
• Title of publication: Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds
• Authors of publication: Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o297 - o300
• a: 4.8954 ± 0.0004 Å
• b: 20.8944 ± 0.0014 Å
• c: 10.8462 ± 0.0008 Å
• α: 90°
• β: 120.648 ± 0.006°
• γ: 90°
• Cell volume: 954.45 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No