Information card for entry 2233733

Structure parameters

• Chemical name: (<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3- phenylacrylonitrile
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: C(=N\O)/c1ccccc1OCC(=C\c1ccccc1)\C#N
• Title of publication: (<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylonitrile
• Authors of publication: Govindan, Suresh; Vijayakumar, Sabari; Jayakumar, Srinivasan; Mannickam, Bakthadoss; Sanmargam, Aravindhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o596
• a: 15.8867 ± 0.0005 Å
• b: 6.2381 ± 0.0002 Å
• c: 15.1874 ± 0.0004 Å
• α: 90°
• β: 107.199 ± 0.002°
• γ: 90°
• Cell volume: 1437.81 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes