Information card for entry 2223203

Structure parameters

• Chemical name: Ammonium salicylate
• Formula: C7 H9 N O3
• Calculated formula: C7 H9 N O3
• SMILES: c1(ccccc1C(=O)[O-])O.[NH4+]
• Title of publication: Ammonium salicylate: a synchrotron study
• Authors of publication: Klepeis, Jae-Hyun Park; Evans, William J.; Zaitseva, Natalia; Schwegler, Eric; Teat, Simon J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2062
• a: 6.0768 ± 0.0006 Å
• b: 20.089 ± 0.002 Å
• c: 6.3353 ± 0.0007 Å
• α: 90°
• β: 102.768 ± 0.001°
• γ: 90°
• Cell volume: 754.27 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes