Information card for entry 2237360

Structure parameters

• Chemical name: Dimethyl 2-[(acridin-9-yl)methylidene]malonate
• Formula: C19 H15 N O4
• Calculated formula: C19 H15 N O4
• SMILES: c12c(C=C(C(=O)OC)C(=O)OC)c3c(nc1cccc2)cccc3
• Title of publication: Dimethyl 2-[(acridin-9-yl)methylidene]malonate
• Authors of publication: de Almeida, Sinara M. V.; Pitta, Ivan R.; do Lima, Maria; Mendonça Junior, Francisco J. B.; de Simone, Carlos A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o224
• a: 8.3022 ± 0.0002 Å
• b: 9.0208 ± 0.0003 Å
• c: 12.0334 ± 0.0004 Å
• α: 96.468 ± 0.002°
• β: 93.652 ± 0.002°
• γ: 117.422 ± 0.002°
• Cell volume: 788 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.063
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes