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Information card for entry 1551679
Preview
| Coordinates | 1551679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H8 Cl4 N2 |
|---|---|
| Calculated formula | C13 H8 Cl4 N2 |
| SMILES | Clc1cc(/N=C/Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1 |
| Title of publication | Crystal Structure of N,N^|^prime;-Bis(3,5-dichlorophenyl)formamidine |
| Authors of publication | HANDA, Makoto; IKEUE, Takahisa; HARADA, Yasuko; KIMURA, Yuko; NISHIMURA, Takuya; YOSHIOKA, Daisuke; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2013 |
| Journal volume | 29 |
| Journal issue | 0 |
| Pages of publication | 25 |
| a | 7.9265 ± 0.0013 Å |
| b | 9.3588 ± 0.0015 Å |
| c | 10.4003 ± 0.0017 Å |
| α | 76.579 ± 0.003° |
| β | 72.529 ± 0.002° |
| γ | 74.249 ± 0.002° |
| Cell volume | 698.7 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216290 (current) | 2019-06-20 | cif/ Adding structures of 1551679 via cif-deposit CGI script. |
1551679.cif |
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Users of the data should acknowledge the original authors of the
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