Information card for entry 2014233

Structure parameters

• Chemical name: N-(4-Fluorophenyl)-4-nitrophthalimide
• Formula: C14 H7 F N2 O4
• Calculated formula: C14 H7 F N2 O4
• SMILES: N1(C(=O)c2c(C1=O)cc(N(=O)=O)cc2)c1ccc(F)cc1
• Title of publication: <i>N</i>-(4-Fluorophenyl)-4-nitrophthalimide: tripartite hydrogen-bonded sheets
• 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: 7
• Pages of publication: o511 - o513
• a: 3.7492 ± 0.0013 Å
• b: 6.9376 ± 0.0014 Å
• c: 23.099 ± 0.008 Å
• α: 90°
• β: 90.118 ± 0.011°
• γ: 90°
• Cell volume: 600.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes