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Information card for entry 7224786
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Coordinates | 7224786.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5,6-dimethylbenzimidazole ethanol solvate |
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Chemical name | 5,6-dimethylbenzimidazole ethanol solvate |
Formula | C11 H16 N2 O |
Calculated formula | C11 H16 N2 O |
SMILES | OCC.n1c[nH]c2cc(c(cc12)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 | 7.081 ± 0.002 Å |
b | 8.559 ± 0.002 Å |
c | 9.604 ± 0.003 Å |
α | 67 ± 0.02° |
β | 81.82 ± 0.02° |
γ | 71.19 ± 0.02° |
Cell volume | 507.1 ± 0.3 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 | 0.1535 |
Residual factor for significantly intense reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.2311 |
Weighted residual factors for all reflections included in the refinement | 0.3014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/7224786.html
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