Information card for entry 2211556

Structure parameters

• Chemical name: Ammonium 2,4-dihydroxybenzoate monohydrate
• Formula: C7 H11 N O5
• Calculated formula: C7 H11 N O5
• SMILES: [NH4+].O=C([O-])c1c(O)cc(O)cc1.O
• Title of publication: Ammonium 2,4-dihydroxybenzoate monohydrate
• Authors of publication: Wei, Lin-Heng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5542 - o5543
• a: 15.5715 ± 0.0017 Å
• b: 15.9806 ± 0.0018 Å
• c: 7.3688 ± 0.0008 Å
• α: 90°
• β: 109.186 ± 0.002°
• γ: 90°
• Cell volume: 1731.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes