Information card for entry 2215476

Structure parameters

• Chemical name: picolinic acid hydrochloride
• Formula: C6 H6 Cl N O2
• Calculated formula: C6 H6 Cl N O2
• SMILES: [Cl-].c1(cccc[nH+]1)C(=O)O
• Title of publication: Redetermination of picolinic acid hydrochloride at 150 K
• Authors of publication: Elsegood, Mark R. J.; Hussain, Dasthagir A.; Sanchez-Ballester, Noelia M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4044 - o4044
• a: 13.7876 ± 0.0015 Å
• b: 6.5268 ± 0.0007 Å
• c: 7.7517 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 697.57 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes