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Information card for entry 2312461
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Coordinates | 2312461.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Ammonium 4-[2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate |
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Formula | C12 H13 N3 O4 S |
Calculated formula | C12 H13 N3 O4 S |
Title of publication | Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. |
Authors of publication | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 3 |
Pages of publication | 66 - 79 |
a | 5.8163 ± 0.0001 Å |
b | 6.9218 ± 0.0001 Å |
c | 15.6295 ± 0.0002 Å |
α | 90° |
β | 93.354 ± 0.001° |
γ | 90° |
Cell volume | 628.154 ± 0.016 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0293 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0791 |
Weighted residual factors for all reflections included in the refinement | 0.0837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2312461.html
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