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Information card for entry 8101863
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Coordinates | 8101863.cif |
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Chemical name | 7-chloro-3-isopropoxy-4H-1,2,4-benzothiadiazine 1,1-dioxide monohydrate |
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Formula | C10 H13 Cl N2 O4 S |
Calculated formula | C10 H13 Cl N2 O4 S |
Title of publication | Crystal structure of 7-chloro-3-isopropoxy-4H-1,2,4-benzothiadiazine 1,1-dioxide monohydrate, C~10~H~11~ClN~2~O~3~S · H~2~O |
Authors of publication | Dupont, L.; Boverie, S.; Pirotte, B.; de Tullio, P. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 4 |
Pages of publication | 565 - 566 |
a | 16.6352 ± 0.0006 Å |
b | 6.8145 ± 0.0007 Å |
c | 12.2805 ± 0.0006 Å |
α | 90° |
β | 107.921 ± 0.003° |
γ | 90° |
Cell volume | 1324.58 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.121 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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