Information card for entry 2009360

Structure parameters

• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: O/N=C(c1ccccc1)\CCC(=O)O
• Title of publication: Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K
• Authors of publication: Maurin, J.K.; Paul, I.C.; Curtin, D.Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 78 - 81
• a: 12.242 ± 0.003 Å
• b: 5.869 ± 0.002 Å
• c: 14.812 ± 0.002 Å
• α: 90°
• β: 114.38 ± 0.01°
• γ: 90°
• Cell volume: 969.3 ± 0.4 ų
• Cell temperature: 223 ± 1 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.471
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No