Information card for entry 2101376

Structure parameters

• Chemical name: (Z,Z)-4-methyl-N-[1-(4-methylphenyl)-phenylimino-ethylidene]- -benzenimine-N-oxide
• Formula: C22 H20 N2 O
• Calculated formula: C22 H20 N2 O
• SMILES: O=N(=CC(=N/c1ccc(cc1)C)\c1ccc(cc1)C)c1ccccc1
• Title of publication: Structure of (<i>Z</i>,<i>Z</i>)-<i>N</i>-{[2-(4-methylphenyl)-2-(4-methylphenyl)imino]ethylidene}aniline <i>N</i>-oxide: conjugation in systems with the nitrone moiety
• Authors of publication: Olszewski, P. K.; Milart, P.; Stadnicka, K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 867 - 873
• a: 8.619 ± 0.0006 Å
• b: 10.9705 ± 0.0006 Å
• c: 18.7157 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.66 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.0865
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No