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Information card for entry 7202170
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Coordinates | 7202170.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1) |
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Chemical name | 1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1) |
Formula | C8 H16 N4 S2 |
Calculated formula | C8 H16 N4 S2 |
Title of publication | Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles |
Authors of publication | Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz |
Journal of publication | CrystEngComm |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 10 |
Pages of publication | 1421 |
a | 6.0414 ± 0.0008 Å |
b | 8.3514 ± 0.0004 Å |
c | 12.3639 ± 0.0006 Å |
α | 77.833 ± 0.004° |
β | 88.565 ± 0.008° |
γ | 69.78 ± 0.008° |
Cell volume | 571.44 ± 0.09 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1307 |
Weighted residual factors for all reflections included in the refinement | 0.1443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
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/7202170.html
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