Information card for entry 2014007

Structure parameters

• Chemical name: (Cyclohexylideneamino)oxyacetic acid
• Formula: C8 H13 N O3
• Calculated formula: C8 H13 N O3
• SMILES: OC(=O)CON=C1CCCCC1
• Title of publication: (Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o270 - o272
• a: 5.0776 ± 0.0001 Å
• b: 8.6533 ± 0.0003 Å
• c: 10.7804 ± 0.0003 Å
• α: 111.261 ± 0.0015°
• β: 102.437 ± 0.002°
• γ: 93.597 ± 0.002°
• Cell volume: 425.88 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes