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Information card for entry 1574159
Preview
| Coordinates | 1574159.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | [(4-Amino-3-methylphenyl)sulfanyl]formonitrile |
|---|---|
| Chemical name | 2-Methyl-4-thiocyanatoaniline |
| Formula | C8 H8 N2 S |
| Calculated formula | C8 H8 N2 S |
| Title of publication | 2-Methyl-4-thiocyanatoaniline |
| Authors of publication | Lange, Erik de; Hosten, Eric Cyriel; Betz, Richard |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 3 |
| a | 4.438 ± 0.0002 Å |
| b | 10.5115 ± 0.0004 Å |
| c | 17.3105 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 807.54 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298463 (current) | 2025-03-15 | cif/ Adding structures of 1574159 via cif-deposit CGI script. |
1574159.cif |
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