Information card for entry 2235557

Structure parameters

• Common name: <i>N</i>,<i>N</i>-bis(5-methoxy-2-hydroxybenzyl)methylamine
• Chemical name: 4,4'-Dimethoxy-2,2'-[methylazanediylbis(methylene)]diphenol
• Formula: C17 H21 N O4
• Calculated formula: C17 H21 N O4
• SMILES: Oc1c(CN(Cc2cc(ccc2O)OC)C)cc(OC)cc1
• Title of publication: 4,4'-Dimethoxy-2,2'-[methylazanediylbis(methylene)]diphenol
• Authors of publication: Veranitisagul, Chatchai; Kaewvilai, Attaphon; Duangthongyou, Tanwawan; Koonsaeng, Nattamon; Laobuthee, Apirat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2139
• a: 13.3384 ± 0.0009 Å
• b: 8.5634 ± 0.0005 Å
• c: 14.1021 ± 0.0008 Å
• α: 90°
• β: 99.34 ± 0.002°
• γ: 90°
• Cell volume: 1589.42 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes