Information card for entry 2100006

Structure parameters

• Common name: 4-piperinic acid
• Chemical name: piperidine-4-carboxylic acid
• Formula: C6 H11 N O2
• Calculated formula: C6 H11 N O2
• SMILES: O=C([O-])C1CC[NH2+]CC1
• Title of publication: Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid
• Authors of publication: Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 96 - 102
• a: 11.7537 ± 0.0005 Å
• b: 10.1013 ± 0.0005 Å
• c: 5.5787 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 662.35 ± 0.05 ų
• Cell temperature: 543 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 2.29
• Diffraction radiation wavelength: 0.334971 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No