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Information card for entry 8107609
Preview
| Coordinates | 8107609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Br2 N2 O |
|---|---|
| Calculated formula | C14 H12 Br2 N2 O |
| SMILES | Brc1c(/N=C/Nc2c(OC)cccc2)c(Br)ccc1 |
| Title of publication | Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O |
| Authors of publication | Munzeiwa, Wisdom A.; Zamisa, Sizwe J.; Omondi, Bernard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 953 - 955 |
| a | 7.347 ± 0.0003 Å |
| b | 9.4435 ± 0.0004 Å |
| c | 10.4335 ± 0.0004 Å |
| α | 78.943 ± 0.002° |
| β | 85.455 ± 0.002° |
| γ | 86.384 ± 0.002° |
| Cell volume | 707.37 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286912 (current) | 2023-10-12 | cif/ Adding structures of 8107609 via cif-deposit CGI script. |
8107609.cif |
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Users of the data should acknowledge the original authors of the
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