Information card for entry 2241505

Structure parameters

• Common name: (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime
• Chemical name: (1<i>Z</i>,2<i>E</i>)-3-phenylprop-2-enal oxime
• Formula: C9 H9 N O
• Calculated formula: C9 H9 N O
• SMILES: O/N=C\C=C\c1ccccc1
• Title of publication: Crystal structure of (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime
• Authors of publication: Bugenhagen, Bernhard; Al Soom, Nuha; Al Jasem, Yosef; Thiemann, Thies
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1063 - o1064
• a: 10.231 ± 0.005 Å
• b: 7.584 ± 0.003 Å
• c: 41.816 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3245 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes