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Information card for entry 8106138
Preview
Coordinates | 8106138.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione |
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Formula | C9 H11 Cl N4 O2 |
Calculated formula | C9 H11 Cl N4 O2 |
Title of publication | The crystal structure of 8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, C9H11ClN4O2 |
Authors of publication | Ali, Syed Saeed; Al-Obaid, Abdulrahman M.; Hosten, Eric C.; Bari, Ahmed |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 2 |
Pages of publication | 317 - 318 |
a | 8.9735 ± 0.0004 Å |
b | 12.2946 ± 0.0007 Å |
c | 19.3751 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2137.6 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8106138.html
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