Information card for entry 2242651

Structure parameters

• Chemical name: 2-Hydroxy-4-methoxybenzaldehyde oxime
• Formula: C8 H9 N O3
• Calculated formula: C8 H9 N O3
• SMILES: Oc1c(ccc(OC)c1)/C=N/O
• Title of publication: Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)
• Authors of publication: Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1480 - 1485
• a: 9.3591 ± 0.0013 Å
• b: 6.2634 ± 0.0007 Å
• c: 13.626 ± 0.0002 Å
• α: 90°
• β: 108.636 ± 0.016°
• γ: 90°
• Cell volume: 756.87 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes