Information card for entry 2240222

Structure parameters

• Common name: ammonium (4-chloro-2-methylphenoxy)acetate hemihydrate
• Chemical name: Ammonium (4-chloro-2-methylphenoxy)acetate hemihydrate
• Formula: C9 H13 Cl N O3.5
• Calculated formula: C9 H13 Cl N O3.5
• 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: 38.0396 ± 0.0009 Å
• b: 4.456 ± 0.0008 Å
• c: 12.944 ± 0.005 Å
• α: 90°
• β: 104.575 ± 0.005°
• γ: 90°
• Cell volume: 2123.5 ± 0.9 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes