Information card for entry 7219624

Structure parameters

• Common name: Hydantoin-5-propionic acid
• Chemical name: 3-(2,5-dioxoimidazolidin-4-yl) propanoic acid
• Formula: C6 H8 N2 O4
• Calculated formula: C6 H8 N2 O4
• SMILES: N1C(=O)NC(=O)[C@@H]1CCC(=O)O
• Title of publication: Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid
• Authors of publication: Maddileti, D.; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5252
• a: 6.2475 ± 0.0004 Å
• b: 7.1111 ± 0.0006 Å
• c: 17.3692 ± 0.0011 Å
• α: 90°
• β: 96.792 ± 0.005°
• γ: 90°
• Cell volume: 766.24 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No