Information card for entry 2239615

Structure parameters

• Common name: 4-acetylpiperazinium picrate
• Chemical name: 4-Acetylpiperazin-1-ium 2,4,6-trinitrophenolate
• Formula: C12 H15 N5 O8
• Calculated formula: C12 H15 N5 O8
• Title of publication: 4-Acetylpiperazinium picrate
• Authors of publication: Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o717 - o718
• a: 6.6843 ± 0.0007 Å
• b: 11.5971 ± 0.0012 Å
• c: 20.131 ± 0.002 Å
• α: 90°
• β: 90 ± 0.004°
• γ: 90°
• Cell volume: 1560.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0494
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes