Information card for entry 2101891

Structure parameters

• Chemical name: (E)-2,2'-dimethylazobenzene
• Formula: C14 H14 N2
• Calculated formula: C14 H14 N2
• SMILES: Cc1ccccc1/N=N/c1ccccc1C
• Title of publication: Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction
• Authors of publication: Harada, J.; Ogawa, K.; Tomoda, S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 662 - 672
• a: 13.4663 ± 0.0013 Å
• b: 6.294 ± 0.0014 Å
• c: 13.6133 ± 0.0012 Å
• α: 90°
• β: 98.116 ± 0.007°
• γ: 90°
• Cell volume: 1142.3 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0463
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.105
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu_Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes