Information card for entry 1543498

Structure parameters

• Formula: C18 H24 N4 O2
• Calculated formula: C18 N4 O2
• SMILES: OCc1nc(CN2CCN(CC2)Cc2nc(ccc2)CO)ccc1
• Title of publication: Syntheses and Structures of N,N'-Bis(6-(2-hydroxymethyl) pyridylmethyl)piperazine, Its Two Zinc(II) Complexes and the Cadmium(II) Complex of N-(6-(2-Hydroxymethyl) pyridylmethyl)-N'-(2-pyridylmethyl)piperazine
• Authors of publication: Loukiala, Satumari; Ratilainen, Jari; Airola, Karri; Valkonen, Jussi; Rissanen, Kari
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 593 - 602
• a: 7.816 ± 0.001 Å
• b: 6.699 ± 0.001 Å
• c: 16.567 ± 0.003 Å
• α: 90°
• β: 91.94 ± 0.01°
• γ: 90°
• Cell volume: 866.9 ± 0.2 ų
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No