Information card for entry 2242650

Structure parameters

• Chemical name: 2,4-Dihydroxybenzaldehyde oxime
• Formula: C7 H7 N O3
• Calculated formula: C7 H7 N O3
• SMILES: Oc1c(ccc(O)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: 3.7241 ± 0.0001 Å
• b: 8.6902 ± 0.0002 Å
• c: 20.757 ± 0.0005 Å
• α: 90°
• β: 92.501 ± 0.002°
• γ: 90°
• Cell volume: 671.12 ± 0.03 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: 0.0409
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes