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Information card for entry 7224794
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Coordinates | 7224794.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5,6-dimethylbenzimidazole methanol solvate |
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Chemical name | 5,6-dimethylbenzimidazole methanol solvate |
Formula | C10 H14 N2 O |
Calculated formula | C10 H14 N2 O |
SMILES | OC.[nH]1cnc2c1cc(c(c2)C)C |
Title of publication | Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole |
Authors of publication | Zielinski, Witold; Katrusiak, Andrzej |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 3211 |
a | 10.007 ± 0.003 Å |
b | 7.0202 ± 0.0014 Å |
c | 6.5889 ± 0.0012 Å |
α | 115.903 ± 0.019° |
β | 94.821 ± 0.018° |
γ | 90.068 ± 0.019° |
Cell volume | 414.53 ± 0.18 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 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 | 0.0896 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1324 |
Weighted residual factors for all reflections included in the refinement | 0.1587 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
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/7224794.html
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