Information card for entry 2017514

Structure parameters

• Chemical name: 3-(1-methylethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one
• Formula: C11 H11 N O
• Calculated formula: C11 H11 N O
• SMILES: CC(=C1C(=O)Nc2c1cccc2)C
• Title of publication: Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib
• Authors of publication: Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o71 - o78
• a: 9.7504 ± 0.0003 Å
• b: 10.2281 ± 0.0003 Å
• c: 14.053 ± 0.0005 Å
• α: 95.766 ± 0.002°
• β: 107.842 ± 0.002°
• γ: 96.617 ± 0.002°
• Cell volume: 1311.46 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes