Information card for entry 2224521

Structure parameters

• Chemical name: 2,2'-[Ethylenebis(azanediylmethylene)]diphenol
• Formula: C16 H20 N2 O2
• Calculated formula: C16 H20 N2 O2
• SMILES: Oc1ccccc1CNCCNCc1ccccc1O
• Title of publication: 2,2'-[Ethylenebis(azanediylmethylene)]diphenol
• Authors of publication: Xu, Ying-Ming; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3151
• a: 15.263 ± 0.002 Å
• b: 4.86 ± 0.001 Å
• c: 9.77 ± 0.001 Å
• α: 90°
• β: 96.318 ± 0.003°
• γ: 90°
• Cell volume: 720.32 ± 0.19 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: 0.0983
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes