Information card for entry 2200448

Structure parameters

• Common name: Piperidinium p-nitrobenzoate
• Chemical name: Piperidinium p-nitrobenzoate
• Formula: C12 H16 N2 O4
• Calculated formula: C12 H16 N2 O4
• SMILES: [O-]C(=O)c1ccc(N(=O)=O)cc1.[NH2+]1CCCCC1
• Title of publication: Piperidinium <i>p</i>-nitrobenzoate
• Authors of publication: Moritani, Yoshimitsu; Takeda, Akihiko; Kashino, Setsuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o707 - o708
• a: 8.949 ± 0.002 Å
• b: 22.451 ± 0.005 Å
• c: 12.712 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2554 ± 1.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes