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Information card for entry 4509860
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Coordinates | 4509860.cif |
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Original paper (by DOI) | HTML |
Common name | furosemide 1,4-dioxane solvate |
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Formula | C16 H19 Cl N2 O7 S |
Calculated formula | C16 H19 Cl N2 O7 S |
SMILES | Clc1c(S(=O)(=O)N)cc(C(=O)O)c(NCc2occc2)c1.O1CCOCC1 |
Title of publication | Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide? |
Authors of publication | Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 2 |
Pages of publication | 513 |
a | 7.9759 ± 0.0005 Å |
b | 10.6923 ± 0.0007 Å |
c | 10.9369 ± 0.0007 Å |
α | 86.247 ± 0.005° |
β | 79.053 ± 0.005° |
γ | 80.548 ± 0.005° |
Cell volume | 902.74 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4509860.html
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Users of the data should acknowledge the original authors of the
structural data.