Information card for entry 2003257

Structure parameters

• Common name: 5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-Meldrum's acid
• Chemical name: 5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-2,2-dimethyl-1,3-dioxane -4,6-dione
• Formula: C15 H16 N2 O4
• Calculated formula: C15 H16 N2 O4
• SMILES: O1C(C)(C)OC(=O)C(C1=O)=CC(=N\Nc1ccccc1)\C
• Title of publication: 2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione
• Authors of publication: Blake, A. J.; McNab, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 527 - 529
• a: 7.544 ± 0.003 Å
• b: 8.576 ± 0.003 Å
• c: 12.014 ± 0.007 Å
• α: 78.01 ± 0.03°
• β: 83.36 ± 0.03°
• γ: 71.41 ± 0.03°
• Cell volume: 719.6 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1394
• Weighted residual factors for significantly intense reflections: 0.1285
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No