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Information card for entry 1572377
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Coordinates | 1572377.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl 2-[(<i>Z</i>)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate |
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Formula | C10 H8 Br N3 O S2 |
Calculated formula | C10 H8 Br N3 O S2 |
Title of publication | Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate |
Authors of publication | Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P. |
Journal of publication | IUCrData |
Year of publication | 2024 |
Journal volume | 9 |
Journal issue | 8 |
a | 6.6331 ± 0.0003 Å |
b | 7.5726 ± 0.0003 Å |
c | 24.6985 ± 0.001 Å |
α | 90° |
β | 97.141 ± 0.004° |
γ | 90° |
Cell volume | 1230.98 ± 0.09 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1143 |
Residual factor for significantly intense reflections | 0.0927 |
Weighted residual factors for significantly intense reflections | 0.264 |
Weighted residual factors for all reflections included in the refinement | 0.2933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1572377.html
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Users of the data should acknowledge the original authors of the
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