Information card for entry 2017702

Structure parameters

• Common name: 4-(phenyldiazenyl)anilinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate
• Chemical name: 4-(phenyldiazenyl)anilinium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate
• Formula: C16 H17 N3 O6
• Calculated formula: C16 H17 N3 O6
• Title of publication: Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with <small>L</small>-tartaric acid
• Authors of publication: Smith, Graham; Wermuth, Urs D.; Young, David J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o345 - o348
• a: 6.171 ± 0.0003 Å
• b: 7.4134 ± 0.0003 Å
• c: 18.2438 ± 0.0006 Å
• α: 91.754 ± 0.003°
• β: 91.308 ± 0.003°
• γ: 108.135 ± 0.004°
• Cell volume: 792.33 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes