Information card for entry 2014008

Structure parameters

• Chemical name: [Chloro(phenyl)methyleneamino]oxyacetic acid
• Formula: C9 H8 Cl N O3
• Calculated formula: C9 H8 Cl N O3
• SMILES: ClC(=NOCC(=O)O)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: 6.7961 ± 0.0001 Å
• b: 7.3857 ± 0.0002 Å
• c: 10.8173 ± 0.0003 Å
• α: 98.4852 ± 0.0009°
• β: 93.4156 ± 0.001°
• γ: 117.019 ± 0.0012°
• Cell volume: 473.44 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes