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Information card for entry 7101901
Preview
Coordinates | 7101901.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5(6)-methoxy-2-((4-methoxy-3,5-dimethyl-2- pyridinyl)methylsulfinyl) -1H-benzimidazole |
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Chemical name | 5(6)-methoxy-2-{(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl} -1H-benzimidazole |
Formula | C17 H19 N3 O3 S |
Calculated formula | C17 H18.9 N3 O3 S |
Title of publication | Tautomeric polymorphism in omeprazole |
Authors of publication | Bhatt, Prashant M.; Desiraju, Gautam R. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2007 |
Journal issue | 20 |
Pages of publication | 2057 - 2059 |
a | 9.638 ± 0.005 Å |
b | 10.264 ± 0.005 Å |
c | 10.324 ± 0.005 Å |
α | 90.085 ± 0.009° |
β | 111.732 ± 0.008° |
γ | 116.288 ± 0.008° |
Cell volume | 833.7 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1318 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1449 |
Weighted residual factors for all reflections included in the refinement | 0.1795 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7101901.html
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