Information card for entry 2239010

Structure parameters

• Chemical name: Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate
• Formula: C19 H13 Br N2 O5
• Calculated formula: C19 H13 Br N2 O5
• SMILES: c1cccc2c1NC(=O)C12C(=C(C(=O)O1)Nc1ccc(cc1)Br)C(=O)OC
• Title of publication: Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate
• Authors of publication: Gangadharan, Rajeswari; Kiruthika, Selvarangam E.; Sethusankar, K.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o210 - o211
• a: 7.845 ± 0.005 Å
• b: 8.365 ± 0.005 Å
• c: 13.703 ± 0.005 Å
• α: 81.565 ± 0.005°
• β: 81.944 ± 0.005°
• γ: 76.183 ± 0.005°
• Cell volume: 858.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes