Information card for entry 2240784

Structure parameters

• Chemical name: 1-Ethyl-5-iodoindolin-2-one
• Formula: C10 H10 I N O
• Calculated formula: C10 H10 I N O
• SMILES: Ic1cc2c(N(CC)C(=O)C2)cc1
• Title of publication: Crystal structure of 1-ethyl-5-iodoindolin-2-one
• Authors of publication: Zhang, Man; Shen, Yu-Xiang; Fang, Qi; Wang, Lei; Li, Da-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 712 - 715
• a: 4.4622 ± 0.0001 Å
• b: 8.2664 ± 0.0002 Å
• c: 27.44 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1012.16 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes