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Information card for entry 2242919
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Coordinates | 2242919.cif |
---|---|
Structure factors | 2242919.hkl |
Original IUCr paper | HTML |
Chemical name | 4-{(<i>E</i>)-3-[(Imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide |
---|---|
Formula | C8 H12 N6 O2 S |
Calculated formula | C8 H12 N6 O2 S |
SMILES | S(=O)(=O)(n1cc(nc1)/C=C/CN=N#N)N(C)C |
Title of publication | Crystal structures of 4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide |
Authors of publication | Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 5 |
Pages of publication | 695 - 699 |
a | 5.4252 ± 0.0015 Å |
b | 9.83 ± 0.003 Å |
c | 11.137 ± 0.003 Å |
α | 74.636 ± 0.005° |
β | 83.418 ± 0.005° |
γ | 80.255 ± 0.005° |
Cell volume | 562.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242919.html
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