Information card for entry 7247216

Structure parameters

• Common name: N1,N2-bis(5-methylisoxazol-3-yl)oxalamide
• Chemical name: N1,N2-bis(5-methylisoxazol-3-yl)oxalamide
• Formula: C10 H10 N4 O4
• Calculated formula: C10 H10 N4 O4
• Title of publication: Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism
• Authors of publication: Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 36
• Pages of publication: 5118 - 5132
• a: 10.5137 ± 0.0004 Å
• b: 5.4852 ± 0.0002 Å
• c: 10.3155 ± 0.0004 Å
• α: 90°
• β: 110.873 ± 0.002°
• γ: 90°
• Cell volume: 555.85 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No