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Information card for entry 7213388
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Coordinates | 7213388.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-nitrobenzenesulfonyl azide |
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Formula | C6 H4 N4 O4 S |
Calculated formula | C6 H4 N4 O4 S |
SMILES | S(=O)(=O)(N=N#N)c1c(N(=O)=O)cccc1 |
Title of publication | Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents |
Authors of publication | Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 9 |
Pages of publication | 1798 |
a | 7.908 ± 0.001 Å |
b | 14.572 ± 0.001 Å |
c | 8.238 ± 0.001 Å |
α | 90° |
β | 106.59 ± 0.01° |
γ | 90° |
Cell volume | 909.79 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.083 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0882 |
Weighted residual factors for all reflections included in the refinement | 0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MOkα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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