Information card for entry 2013802

Structure parameters

• Chemical name: N-(3-Nitrophenyl)phthalimide
• Formula: C14 H8 N2 O4
• Calculated formula: C14 H8 N2 O4
• SMILES: N1(C(=O)c2ccccc2C1=O)c1cc(ccc1)N(=O)=O
• Title of publication: A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o24 - o27
• a: 6.665 ± 0.0005 Å
• b: 3.6962 ± 0.0003 Å
• c: 23.639 ± 0.002 Å
• α: 90°
• β: 95.208 ± 0.003°
• γ: 90°
• Cell volume: 579.95 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes