Information card for entry 7157487

Structure parameters

• Formula: C17 H14 N O3
• Calculated formula: C17 H14 N O3
• SMILES: O/C(=C\1c2c(N(C1=O)C)cccc2)c1c(OC)cccc1
• Title of publication: Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.
• Authors of publication: Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3843 - 3847
• a: 11.1312 ± 0.0004 Å
• b: 8.2115 ± 0.0004 Å
• c: 16.7219 ± 0.0007 Å
• α: 90°
• β: 109.192 ± 0.001°
• γ: 90°
• Cell volume: 1443.5 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No