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Information card for entry 8105693
Preview
Coordinates | 8105693.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H6 Br Cl2 N3 |
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Calculated formula | C10 H6 Br Cl2 N3 |
SMILES | Brc1cc(c(c(c1)Cl)Nc1cnccn1)Cl |
Title of publication | Crystal structure of N-(4-bromo-2,6-dichloro-phenyl)pyrazin-2-amine, C10H6BrCl2N3 |
Authors of publication | Zhu, Zhoujing; Liu, Bin; Xu, Xiaona |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 3 |
Pages of publication | 347 - 349 |
a | 9.2229 ± 0.0013 Å |
b | 14.709 ± 0.002 Å |
c | 8.6472 ± 0.0013 Å |
α | 90° |
β | 104.851 ± 0.003° |
γ | 90° |
Cell volume | 1133.9 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0469 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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277377 (current) | 2022-08-24 | cif/ Adding structures of 8105693 via cif-deposit CGI script. |
8105693.cif |
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