Information card for entry 2007255

Structure parameters

• Chemical name: 1,4-bis[2'hydroxy-3'-(N-ethylimino)-5'-methylbenzyl]-piperazine
• Formula: C26 H36 N4 O2
• Calculated formula: C26 H34.5 N4 O2
• SMILES: CC/N=C/c1cc(C)cc(c1O)CN1CCN(CC1)Cc1cc(C)cc(c1O)/C=N/CC
• Title of publication: 1,4-Bis[3-(<i>N</i>-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine
• Authors of publication: R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; M.Marappan; M.Kandaswamy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 644 - 645
• a: 19.033 ± 0.002 Å
• b: 13.661 ± 0.001 Å
• c: 9.546 ± 0.001 Å
• α: 90°
• β: 95.72 ± 0.01°
• γ: 90°
• Cell volume: 2469.7 ± 0.4 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: 0.0888
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1359
• Weighted residual factors for significantly intense reflections: 0.1171
• Goodness-of-fit parameter for all reflections: 0.908
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No