Information card for entry 2240221

Structure parameters

• Common name: ammonium 4-fluorophenoxyacetate
• Chemical name: Ammonium (4-fluorophenoxy)acetate
• Formula: C8 H10 F N O3
• Calculated formula: C8 H10 F N O3
• SMILES: Fc1ccc(OCC(=O)[O-])cc1.[NH4+]
• Title of publication: Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 528 - 532
• a: 18.386 ± 0.002 Å
• b: 7.1223 ± 0.0006 Å
• c: 6.7609 ± 0.0006 Å
• α: 90°
• β: 93.399 ± 0.008°
• γ: 90°
• Cell volume: 883.79 ± 0.14 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes