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Information card for entry 7216420
Preview
Coordinates | 7216420.cif |
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Original paper (by DOI) | HTML |
Common name | Furosemide sodium salt trihydrate |
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Formula | C12 H16 Cl N2 Na O8 S |
Calculated formula | C12 H16 Cl N2 Na O8 S |
SMILES | S(=O)(=O)(c1cc(C(=O)[O-])c(NCc2occc2)cc1Cl)N.[Na+].O.O.O |
Title of publication | High solubility crystalline hydrates of Na and K furosemide salts |
Authors of publication | Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 22 |
Pages of publication | 4842 |
a | 20.9184 ± 0.001 Å |
b | 10.4771 ± 0.0006 Å |
c | 7.8468 ± 0.0004 Å |
α | 90° |
β | 95.79 ± 0.004° |
γ | 90° |
Cell volume | 1710.96 ± 0.16 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0922 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
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/7216420.html
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