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Information card for entry 7228673
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Coordinates | 7228673.cif |
---|
Formula | C6 H8 N2 O2 S |
---|---|
Calculated formula | C6 N2 O2 S |
SMILES | S(=O)(=O)(NN)c1ccccc1 |
Title of publication | Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data |
Authors of publication | Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions |
Year of publication | 1993 |
Journal volume | 2 |
Pages of publication | 1626 - 1630 |
a | 8.0924 ± 0.0002 Å |
b | 8.6082 ± 0.0002 Å |
c | 11.7122 ± 0.0004 Å |
α | 90° |
β | 108.591 ± 0.002° |
γ | 90° |
Cell volume | 773.31 ± 0.04 Å3 |
Ambient diffraction temperature | 293 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 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54056 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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