Information card for entry 2010288

Structure parameters

• Common name: 5-(1-aminopyrrolylmethylene)-Meldrum's acid
• Chemical name: 5-(1-aminopyrrolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C11 H12 N2 O4
• Calculated formula: C11 H12 N2 O4
• SMILES: O1C(C)(C)OC(=O)/C(=C\Nn2cccc2)C1=O
• Title of publication: Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid
• Authors of publication: Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1935 - 1938
• a: 16.79 ± 0.0011 Å
• b: 12.6423 ± 0.0008 Å
• c: 11.1014 ± 0.0006 Å
• α: 90°
• β: 94.31 ± 0.06°
• γ: 90°
• Cell volume: 2349.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1761
• Weighted residual factors for significantly intense reflections: 0.1475
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.192
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No