Information card for entry 7219683

Structure parameters

• Formula: C15 H10 N2 O5
• Calculated formula: C15 H10 N2 O5
• SMILES: C1(=O)c2cccc(c2C(=O)N1c1ccc(cc1)OC)N(=O)=O
• 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: 3.8289 ± 0.0001 Å
• b: 23.3314 ± 0.0007 Å
• c: 7.4554 ± 0.0002 Å
• α: 90°
• β: 98.153 ± 0.003°
• γ: 90°
• Cell volume: 659.29 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No