Information card for entry 7250461

Structure parameters

• Formula: C9 H15 N O4
• Calculated formula: C9 H15 N O4
• Title of publication: Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids
• Authors of publication: Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 27
• Pages of publication: 4686 - 4698
• a: 5.619 ± 0.0005 Å
• b: 8.2905 ± 0.0007 Å
• c: 11.0972 ± 0.0009 Å
• α: 99.262 ± 0.003°
• β: 99.099 ± 0.003°
• γ: 102.841 ± 0.003°
• Cell volume: 487.25 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No