Information card for entry 8105301

Structure parameters

• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: O=N(=O)c1c(cccc1)/C=N/c1ccccc1C
• Title of publication: Crystal structure of (E)-1-(2-nitrophenyl)-N-(o-tolyl)methanimine, C14H12N2O2
• Authors of publication: Olagboye, Sulaiman A.; Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 833 - 836
• a: 8.3844 ± 0.0001 Å
• b: 20.0465 ± 0.0003 Å
• c: 14.0511 ± 0.0002 Å
• α: 90°
• β: 94.786 ± 0.001°
• γ: 90°
• Cell volume: 2353.44 ± 0.06 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No