Information card for entry 1557323

Structure parameters

• Common name: N,N'-bis(2-hydroxybenzyl)piperazine
• Formula: C18 H22 N2 O2
• Calculated formula: C18 H2 N2 O2
• SMILES: C1N(CCN(C1)Cc1c(cccc1)O)Cc1c(cccc1)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: 6.745 ± 0.006 Å
• b: 8.796 ± 0.002 Å
• c: 13.407 ± 0.002 Å
• α: 90°
• β: 98.99 ± 0.03°
• γ: 90°
• Cell volume: 785.7 ± 0.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No