Information card for entry 7240886

Structure parameters

• Common name: cis-o,o'-azodioxytoluene
• Chemical name: Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide
• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• SMILES: O=N(=N(=O)c1c(cccc1)C)c1c(cccc1)C
• 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: 15.176 ± 0.0013 Å
• b: 10.4211 ± 0.0006 Å
• c: 15.5264 ± 0.0012 Å
• α: 90°
• β: 90 ± 0.007°
• γ: 90°
• Cell volume: 2455.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No