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Information card for entry 7209015
Preview
Coordinates | 7209015.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4-m-tolyl-1,2,3,5-dithiadiazolyl |
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Formula | C8 H7 N2 S2 |
Calculated formula | C8 H7 N2 S2 |
SMILES | C1(=NSS[N]1)c1cc(ccc1)C |
Title of publication | Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2 |
Authors of publication | Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M. |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 6 |
Pages of publication | 1107 |
a | 5.9118 ± 0.0012 Å |
b | 13.36 ± 0.003 Å |
c | 10.963 ± 0.002 Å |
α | 90° |
β | 105.11 ± 0.03° |
γ | 90° |
Cell volume | 835.9 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0371 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.0945 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7209015.html
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