Information card for entry 4502084

Structure parameters

• Common name: piperidinium salicylate
• Chemical name: piperidinium 2-hydroxybenzoate
• Formula: C12 H17 N O3
• Calculated formula: C12 H17 N O3
• SMILES: [O-]C(=O)c1c(O)cccc1.[NH2+]1CCCCC1
• Title of publication: Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers
• Authors of publication: Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 5210
• a: 6.9819 ± 0.0006 Å
• b: 18.7029 ± 0.0016 Å
• c: 9.6814 ± 0.0008 Å
• α: 90°
• β: 109.574 ± 0.0015°
• γ: 90°
• Cell volume: 1191.16 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No