Information card for entry 2311662

Structure parameters

• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• SMILES: c1(ccc(c(/C=N/c2cc(ccc2C)/N=C/c2c(O)ccc(C)c2)c1)O)C
• Title of publication: The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.
• Authors of publication: Kaczmarek, Małgorzata T; Kubicki, Maciej
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 5
• Pages of publication: 792 - 800
• a: 9.464 ± 0.002 Å
• b: 20.64 ± 0.003 Å
• c: 19.219 ± 0.003 Å
• α: 90°
• β: 103.93 ± 0.02°
• γ: 90°
• Cell volume: 3643.8 ± 1.1 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No