Information card for entry 4501989

Structure parameters

• Common name: Urea:succinic acid cocrystal
• Chemical name: Urea:succinic acid cocrystal
• Formula: C5 H10 N2 O5
• Calculated formula: C5 H10 N2 O5
• SMILES: C(=O)(N)N.C(=O)(CCC(=O)O)O
• Title of publication: 1:1 and 2:1 Urea−Succinic Acid Cocrystals: Structural Diversity, Solution Chemistry, and Thermodynamic Stability
• Authors of publication: Alhalaweh, Amjad; George, Sumod; Boström, Dan; Velaga, Sitaram P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4847
• a: 18.725 ± 0.0011 Å
• b: 6.512 ± 0.0007 Å
• c: 6.421 ± 0.0005 Å
• α: 90°
• β: 90.834 ± 0.006°
• γ: 90°
• Cell volume: 782.88 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No