Information card for entry 7153808

Structure parameters

• Formula: C16 H10 Cl N O2
• Calculated formula: C16 H10 Cl N O2
• SMILES: Clc1ccc(C(=O)/C=C/2c3ccccc3NC2=O)cc1
• Title of publication: Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.
• Authors of publication: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 3201 - 3210
• a: 14.514 ± 0.003 Å
• b: 8.703 ± 0.0019 Å
• c: 21.592 ± 0.005 Å
• α: 90°
• β: 109.575 ± 0.008°
• γ: 90°
• Cell volume: 2569.8 ± 1 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No