Information card for entry 2240948

Structure parameters

• Common name: 2,3-Dimethylmaleic anhydride
• Chemical name: 3,4-Dimethylfuran-2,5-dione
• Formula: C6 H6 O3
• Calculated formula: C6 H6 O3
• SMILES: C1(=O)C(=C(C(=O)O1)C)C
• Title of publication: Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction
• Authors of publication: Wiscons, Ren A.; Zeller, Matthias; Rowsell, Jesse L. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 950 - 955
• a: 10.4087 ± 0.0018 Å
• b: 8.5848 ± 0.0015 Å
• c: 13.095 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1170.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes