Information card for entry 2015878

Structure parameters

• Common name: 3,4-Diethylmaleinimide
• Chemical name: 3,4-Diethyl-2,5-dihydro-1H-pyrrole-2,5-dione
• Formula: C8 H11 N O2
• Calculated formula: C8 H11 N O2
• SMILES: C1(=O)C(=C(CC)C(=O)N1)CC
• Title of publication: 3,4-Diethyl-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione
• Authors of publication: Bröring, Martin; Brégier, Frédérique; Kleeberg, Christian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o225 - o227
• a: 7.9602 ± 0.0013 Å
• b: 11.6135 ± 0.0018 Å
• c: 26.586 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2457.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes