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Information card for entry 7211939
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Coordinates | 7211939.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Succinic acid & 1,2-dimethylimidazole |
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Chemical name | Succinic acid & 1,2-dimethylimidazole |
Formula | C9 H14 N2 O4 |
Calculated formula | C9 H14 N2 O4 |
SMILES | C(=O)(CCC(=O)[O-])O.c1(C)n(cc[nH+]1)C |
Title of publication | A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 898 |
a | 20.5769 ± 0.0012 Å |
b | 7.3521 ± 0.0004 Å |
c | 14.0383 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2123.8 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1161 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7211939.html
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