Information card for entry 7209203

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: O=C(O)CCCC(=O)O.[O-]C(=O)C[NH3+]
• Title of publication: Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures
• Authors of publication: Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 1693
• a: 4.8468 ± 0.0006 Å
• b: 20.177 ± 0.004 Å
• c: 10.0209 ± 0.0012 Å
• α: 85.32 ± 0.02°
• β: 113.602 ± 0.009°
• γ: 88.18 ± 0.019°
• Cell volume: 892.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 700000 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2755
• Weighted residual factors for all reflections included in the refinement: 0.3404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No