Information card for entry 7200563

Structure parameters

• Common name: Urea-glutaric acid
• Chemical name: Urea-glutaric acid
• Formula: C6 H12 N2 O5
• Calculated formula: C6 H12 N2 O5
• SMILES: C(=O)(N)N.C(CC(=O)O)CC(=O)O
• Title of publication: The utility of a ternary phase diagram in the discovery of new co-crystal forms
• Authors of publication: Chadwick, Keith; Davey, Roger; Sadiq, Ghazala; Cross, Wendy; Pritchard, Robin
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 412
• a: 14.767 ± 0.003 Å
• b: 11.735 ± 0.002 Å
• c: 5.0741 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 879.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No