Information card for entry 2228690

Structure parameters

• Chemical name: (<i>RS</i>)-1-[5-(2-Chloropropyl)indolin-1-yl]ethanone
• Formula: C13 H16 Cl N O
• Calculated formula: C13 H16 Cl N O
• SMILES: CC(Cc1ccc2c(c1)CCN2C(=O)C)Cl
• Title of publication: (<i>RS</i>)-1-[5-(2-Chloropropyl)indolin-1-yl]ethanone
• Authors of publication: Yang, Xue-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o51
• a: 6.9041 ± 0.0005 Å
• b: 8.4887 ± 0.0006 Å
• c: 10.6463 ± 0.0007 Å
• α: 76.423 ± 0.001°
• β: 86.955 ± 0.001°
• γ: 89.969 ± 0.001°
• Cell volume: 605.61 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes