Information card for entry 2013803

Structure parameters

• Chemical name: N-(3,5-Dinitrophenyl)phthalimide
• Formula: C14 H7 N3 O6
• Calculated formula: C14 H7 N3 O6
• SMILES: C1(=O)c2c(C(=O)N1c1cc(cc(c1)N(=O)=O)N(=O)=O)cccc2
• 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: 5.0936 ± 0.0007 Å
• b: 12.6297 ± 0.0018 Å
• c: 10.366 ± 0.002 Å
• α: 90°
• β: 101.335 ± 0.006°
• γ: 90°
• Cell volume: 653.84 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes