Information card for entry 2202006

Structure parameters

• Chemical name: 1,4-Bis{2-hydroxy-3-[N-(2-hydroxyethyl)imino]-5-methylbenzyl}piperazine
• Formula: C26 H36 N4 O4
• Calculated formula: C26 H36 N4 O4
• SMILES: c1(c(cc(cc1CN1CCN(CC1)Cc1cc(cc(c1O)/C=N/CCO)C)C)/C=N/CCO)O
• Title of publication: 1,4-Bis{2-hydroxy-3-[<i>N</i>-(2-hydroxyethyl)imino]-5-methylbenzyl}piperazine
• Authors of publication: M. Yogavel; S. Selvanayagam; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; M. Marappan; M. Kandaswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o83 - o85
• a: 9.7575 ± 0.0002 Å
• b: 13.8091 ± 0.0003 Å
• c: 18.427 ± 0.0001 Å
• α: 90°
• β: 99.964 ± 0.001°
• γ: 90°
• Cell volume: 2445.45 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1074
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes