Information card for entry 2233574

Structure parameters

• Chemical name: (<i>E</i>)-1-{6-[1-(2,6-Dimethylphenylimino)ethyl]pyridin-2-yl}ethanone
• Formula: C17 H18 N2 O
• Calculated formula: C17 H18 N2 O
• SMILES: O=C(c1nc(ccc1)C(=N\c1c(cccc1C)C)\C)C
• Title of publication: (<i>E</i>)-1-{6-[1-(2,6-Dimethylphenylimino)ethyl]pyridin-2-yl}ethanone
• Authors of publication: Su, Qing; Zhao, Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o360
• a: 6.2988 ± 0.0013 Å
• b: 7.9684 ± 0.0016 Å
• c: 16.009 ± 0.003 Å
• α: 99.57 ± 0.03°
• β: 96.4 ± 0.03°
• γ: 108.31 ± 0.03°
• Cell volume: 740.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes