Information card for entry 2101265

Structure parameters

• Formula: C5 H9 N O3
• Calculated formula: C5 H9 N O3
• SMILES: O/N=C(/CCC(=O)O)C
• Title of publication: Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime
• Authors of publication: Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 232 - 240
• a: 8.568 ± 0.002 Å
• b: 5.916 ± 0.001 Å
• c: 26.403 ± 0.015 Å
• α: 90°
• β: 92.39 ± 0.01°
• γ: 90°
• Cell volume: 1337.2 ± 0.9 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No