Information card for entry 7219679

Structure parameters

• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: C1(=O)c2ccccc2C(=O)N1c1c(cccc1C)C
• Title of publication: Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products
• Authors of publication: Colaço, Melwin; Dubois, Jean; Wouters, Johan
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2523
• a: 9.837 ± 0.002 Å
• b: 16.124 ± 0.004 Å
• c: 8.643 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1370.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.235
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No