Information card for entry 2216371

Structure parameters

• Chemical name: (1<i>Z</i>,2E)-2-(Hydroxyimino)-<i>N</i>-<i>p</i>-tolylacetamide oxime
• Formula: C9 H11 N3 O2
• Calculated formula: C9 H11 N3 O2
• SMILES: c1(ccc(cc1)C)NC(/C=N/O)=N\O
• Title of publication: (1<i>Z</i>,2<i>E</i>)-2-(Hydroxyimino)-<i>N</i>-<i>p</i>-tolylacetamide oxime
• Authors of publication: Özek, Arzu; Büyükgüngör, Orhan; Ilkimen, Halil; Yenikaya, Cengiz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4738 - o4738
• a: 9.0031 ± 0.0012 Å
• b: 19.352 ± 0.003 Å
• c: 6.9742 ± 0.0009 Å
• α: 90°
• β: 126.596 ± 0.009°
• γ: 90°
• Cell volume: 975.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes