Information card for entry 2009707

Structure parameters

• Formula: C14 H17 N O5
• Calculated formula: C14 H17 N O5
• SMILES: OC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2.O
• Title of publication: 2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic acid monohydrate (II)
• Authors of publication: Feeder, N.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 820 - 823
• a: 8.771 ± 0.003 Å
• b: 22.553 ± 0.005 Å
• c: 7.257 ± 0.002 Å
• α: 90°
• β: 99.33 ± 0.06°
• γ: 90°
• Cell volume: 1416.5 ± 0.7 ų
• Cell temperature: 295 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: 0.054
• Weighted residual factors for significantly intense reflections: 0.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No