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Information card for entry 7209016
Preview
Coordinates | 7209016.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4-o-tolyl-1,2,3,5-dithiadiazolyl |
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Formula | C8 H7 N2 S2 |
Calculated formula | C8 H7 N2 S2 |
SMILES | S1S[N]C(=N1)c1ccccc1C |
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 | 7.8589 ± 0.0016 Å |
b | 14.917 ± 0.003 Å |
c | 55.362 ± 0.011 Å |
α | 90° |
β | 92.445 ± 0.003° |
γ | 90° |
Cell volume | 6484 ± 2 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1679 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1366 |
Weighted residual factors for all reflections included in the refinement | 0.1696 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
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/7209016.html
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