Information card for entry 2233608

Structure parameters

• Chemical name: (<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)- 3-<i>o</i>-tolylacrylonitrile
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: C(=N\O)/c1ccccc1OC/C(=C/c1ccccc1C)C#N
• Title of publication: (<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3-<i>o</i>-tolylacrylonitrile
• Authors of publication: Govindan, E.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o484
• a: 7.0214 ± 0.0002 Å
• b: 10.5094 ± 0.0003 Å
• c: 10.8854 ± 0.0003 Å
• α: 97.636 ± 0.001°
• β: 95.953 ± 0.001°
• γ: 99.642 ± 0.001°
• Cell volume: 778.32 ± 0.04 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: 0.0746
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes