Information card for entry 2238234

Structure parameters

• Chemical name: Methyl 4-anilino-2',5-dioxo-1',2'-dihydro-5<i>H</i>-spiro[furan-2,3'-indole]-3-carboxylate
• Formula: C19 H14 N2 O5
• Calculated formula: C19 H14 N2 O5
• SMILES: c1cccc2c1NC(=O)C12C(=C(C(=O)O1)Nc1ccccc1)C(=O)OC
• Title of publication: Methyl 4-anilino-2',5-dioxo-1',2'-dihydro-5<i>H</i>-spiro[furan-2,3'-indole]-3-carboxylate
• Authors of publication: Gangadharan, Rajeswari; Sethusankar, K.; Kiruthika, Selvarangam E.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1055
• a: 12.1713 ± 0.0006 Å
• b: 13.6144 ± 0.0007 Å
• c: 10.9602 ± 0.0006 Å
• α: 90°
• β: 114.813 ± 0.002°
• γ: 90°
• Cell volume: 1648.5 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes