Information card for entry 2231611

Structure parameters

• Chemical name: Spiro[cyclopropane-1,3'-indolin]-2'-one
• Formula: C10 H9 N O
• Calculated formula: C10 H9 N O
• SMILES: N1C(=O)C2(c3c1cccc3)CC2
• Title of publication: Spiro[cyclopropane-1,3'-indolin]-2'-one
• Authors of publication: Yuan, Maosen; Wang, Qi; Zhang, Yuejun; Wang, Junru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2456
• a: 7.4348 ± 0.0006 Å
• b: 14.0589 ± 0.0011 Å
• c: 15.6401 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1634.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes