Information card for entry 7240885

Structure parameters

• Common name: trans-o,o'-azodioxytoluene
• Chemical name: 1, 2-bis(2mehtylphenyl)diazene 1,2-dioxide
• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• Title of publication: ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds
• Authors of publication: Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.1552 ± 0.0006 Å
• b: 10.3206 ± 0.0008 Å
• c: 14.38 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1210.32 ± 0.16 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 104.71 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: 0.0896
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No