Information card for entry 2014887

Structure parameters

• Chemical name: N-(3-Nitrophenyl)succinimide
• Formula: C10 H8 N2 O4
• Calculated formula: C10 H8 N2 O4
• SMILES: O=C1N(C(=O)CC1)c1cc(N(=O)=O)ccc1
• Title of publication: Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework
• 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: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o216 - o220
• a: 6.6318 ± 0.0002 Å
• b: 7.0944 ± 0.0003 Å
• c: 10.426 ± 0.0005 Å
• α: 90°
• β: 108.234 ± 0.002°
• γ: 90°
• Cell volume: 465.9 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes