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Information card for entry 7052026
Preview
Coordinates | 7052026.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [C2mim][NMes2] |
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Chemical name | 3-ethyl-1-methylimidazolium bis(methanesulfonyl)amide |
Formula | C8 H17 N3 O4 S2 |
Calculated formula | C8 H17 N3 O4 S2 |
SMILES | n1(c[n+](cc1)CC)C.S(=O)(=O)(N=S(=O)([O-])C)C |
Title of publication | Interactions in bisamide ionic liquids—insights from a Hirshfeld surface analysis of their crystalline states |
Authors of publication | Dean, Pamela M.; Pringle, Jennifer M.; Forsyth, Craig M.; Scott, Janet L.; MacFarlane, Douglas R. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2008 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 2121 |
a | 6.2135 ± 0.0002 Å |
b | 13.7443 ± 0.0004 Å |
c | 7.8355 ± 0.0002 Å |
α | 90° |
β | 106.172 ± 0.002° |
γ | 90° |
Cell volume | 642.67 ± 0.03 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0256 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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/7052026.html
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