Information card for entry 2012822

Structure parameters

• Chemical name: N,N'-diphenyl-1,4-phenylenediamine
• Formula: C18 H16 N2
• Calculated formula: C18 H16 N2
• SMILES: c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1
• Title of publication: A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines
• Authors of publication: Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o416 - o420
• a: 25.678 ± 0.004 Å
• b: 7.4815 ± 0.0013 Å
• c: 6.9588 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1336.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.077
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes