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Information card for entry 1552480
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| Coordinates | 1552480.cif |
|---|---|
| Structure factors | 1552480.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile |
|---|---|
| Formula | C16 H20 N4 |
| Calculated formula | C16 H20 N4 |
| Title of publication | 4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile |
| Authors of publication | Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | x191369 |
| a | 8.7319 ± 0.0004 Å |
| b | 11.3091 ± 0.0005 Å |
| c | 16.122 ± 0.0007 Å |
| α | 69.599 ± 0.003° |
| β | 77.168 ± 0.004° |
| γ | 81.042 ± 0.004° |
| Cell volume | 1449.57 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.848 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219515 (current) | 2019-10-25 | cif/ hkl/ Adding structures of 1552480 via cif-deposit CGI script. |
1552480.cif 1552480.hkl |
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