Information card for entry 2012821

Structure parameters

• Chemical name: N,N'-diphenyl-1,4-benzoquinonediamine
• Formula: C18 H14 N2
• Calculated formula: C18 H14 N2
• SMILES: c1ccc(cc1)/N=C1\C=C/C(=N/c2ccccc2)C=C1
• 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: 27.4797 ± 0.0002 Å
• b: 6.7734 ± 0.0002 Å
• c: 7.4212 ± 0.0005 Å
• α: 90°
• β: 92.026 ± 0.001°
• γ: 90°
• Cell volume: 1380.45 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes