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Information card for entry 7101902
Preview
Coordinates | 7101902.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6-methoxy-2-((4-methoxy-3,5-dimethyl-2- pyridinyl)methylsulfinyl) -1H-benzimidazole |
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Chemical name | 6-methoxy-2-{(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl} -1H-benzimidazole |
Formula | C17 H19 N3 O3 S |
Calculated formula | C17 H18.88 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 | 9.6439 ± 0.0016 Å |
b | 10.2621 ± 0.0017 Å |
c | 10.3322 ± 0.0017 Å |
α | 90.216 ± 0.002° |
β | 111.762 ± 0.002° |
γ | 116.113 ± 0.002° |
Cell volume | 835.5 ± 0.2 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 | 0.0565 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1288 |
Weighted residual factors for all reflections included in the refinement | 0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/7101902.html
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