Information card for entry 2000528

Structure parameters

• Formula: C12 H17 N O2
• Calculated formula: C12 H17 N O2
• SMILES: O=C1CN=C2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C
• Title of publication: Structure of the lactonic adduct from 2-hydroxypinan-3-one and glycine
• Authors of publication: Lapasset, J.; El Marini, A.; Roumestant, M. L.; Vidal, Y.; Viallefont, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1806 - 1808
• a: 11 ± 0.02 Å
• b: 7.48 ± 0.01 Å
• c: 7.49 ± 0.01 Å
• α: 90°
• β: 114.3 ± 0.1°
• γ: 90°
• Cell volume: 561.7 ± 1.5 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No