Information card for entry 1559456

Structure parameters

• Common name: 4-Hydroxybenzaldehyde oxime monohydrate
• Formula: C7 H9 N O3
• Calculated formula: C7 N O3
• SMILES: O/N=C/c1ccc(O)cc1.O
• Title of publication: Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes
• Authors of publication: Jerslev, Bodil; Larsen, Sine
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 285 - 291
• a: 9.626 ± 0.003 Å
• b: 3.838 ± 0.003 Å
• c: 10.745 ± 0.003 Å
• α: 90°
• β: 109.17 ± 0.02°
• γ: 90°
• Cell volume: 375 ± 0.3 ų
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No