Information card for entry 2215301

Structure parameters

• Common name: N-(4-hydroxybenzylidene)-N'-(2-(4-hydroxybenzylideneamino)ethyl)ethane- 1,2-diamine
• Chemical name: N-[2-(4-hydroxybenzylideneamino)ethyl]-N-[2-(4- oxidobenzylideneamino)ethyl]ammonium
• Formula: C18 H21 N3 O2
• Calculated formula: C18 H21 N3 O2
• SMILES: Oc1ccc(cc1)/C=N/CC[NH2+]CC/N=C/c1ccc([O-])cc1
• Title of publication: <i>N</i>-[2-(4-Hydroxybenzylideneamino)ethyl]-<i>N</i>-[2-(4-oxidobenzylideneamino)ethyl]ammonium
• Authors of publication: Xiu-Mei Tian; Gang Liu; Yue Feng; Ji-De Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3701 - o3701
• a: 11.638 ± 0.002 Å
• b: 15.667 ± 0.003 Å
• c: 17.016 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3102.6 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes