Information card for entry 2023023

Structure parameters

• Common name: <i>N</i>-(2-Nitrophenyl)maleimide
• Chemical name: 1-(2-Nitrophenyl)pyrrole-2,5-dione
• Formula: C10 H6 N2 O4
• Calculated formula: C10 H6 N2 O4
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT study of <i>N</i>-(2-nitro-phen-yl)male-imide.
• Authors of publication: Montoya-Garcia, Maribel; Cortes-Hernandez, Héctor; D'Vries, Richard; Valencia-Sanchez, Hoover
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 3
• Pages of publication: 256 - 261
• a: 14.331 ± 0.005 Å
• b: 7.769 ± 0.005 Å
• c: 17.558 ± 0.005 Å
• α: 90°
• β: 91.969 ± 0.005°
• γ: 90°
• Cell volume: 1953.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes