Information card for entry 1557324

Structure parameters

• Common name: N,N'-bis(2-hydroxybenzyl)piperazine nitrate
• Formula: C18 H24 N4 O8
• Calculated formula: C18 H4 N4 O8
• SMILES: C1[NH+](CC[NH+](C1)Cc1c(cccc1)O)Cc1c(cccc1)O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.
• Authors of publication: Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 1162 - 1168
• a: 9.733 ± 0.004 Å
• b: 23.332 ± 0.004 Å
• c: 8.963 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2035.4 ± 0.9 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No