Information card for entry 2214070

Structure parameters

• Chemical name: Benzaldehyde O-[(E)-(6-chloropyridin-3-yl)methyl]oxime
• Formula: C13 H11 Cl N2 O
• Calculated formula: C13 H11 Cl N2 O
• SMILES: Clc1ncc(cc1)CON=Cc1ccccc1
• Title of publication: Benzaldehyde <i>O</i>-[(<i>E</i>)-(6-chloropyridin-3-yl)methyl]oxime
• Authors of publication: Liu Meng; De-Qing Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3311 - o3311
• a: 7.6265 ± 0.0007 Å
• b: 6.1724 ± 0.0006 Å
• c: 26.559 ± 0.003 Å
• α: 90°
• β: 95.571 ± 0.002°
• γ: 90°
• Cell volume: 1244.3 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes