Information card for entry 2008796

Structure parameters

• Common name: m-nitroglutethimide
• Chemical name: 3-(3'-nitrophenyl)-3-ethylpiperidine-2,6-dione
• Formula: C13 H14 N2 O4
• Calculated formula: C13 H14 N2 O4
• Title of publication: Nitro derivatives of glutethimide
• Authors of publication: Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1300 - 1304
• a: 9.4376 ± 0.0007 Å
• b: 13.168 ± 0.002 Å
• c: 10.035 ± 0.002 Å
• α: 90°
• β: 96.71 ± 0.02°
• γ: 90°
• Cell volume: 1238.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No