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Information card for entry 2020206
Preview
Coordinates | 2020206.cif |
---|---|
Structure factors | 2020206.hkl |
Original IUCr paper | HTML |
Common name | sulfapyridine tetrahydrofuran solvate |
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Chemical name | 4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate |
Formula | C15 H20 N4 O4 S |
Calculated formula | C15 H20 N4 O4 S |
SMILES | S(=O)(=O)(Nc1ncc(OC)cn1)c1ccc(N)cc1.O1CCCC1 |
Title of publication | Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K |
Authors of publication | Tailor, Sanjay M.; Patel, Urmila H. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 11 |
a | 8.0255 ± 0.0002 Å |
b | 19.1956 ± 0.0005 Å |
c | 11.1829 ± 0.0003 Å |
α | 90° |
β | 98.886 ± 0.001° |
γ | 90° |
Cell volume | 1702.1 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.05 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1195 |
Weighted residual factors for all reflections included in the refinement | 0.1276 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020206.cif 2020206.hkl |
167921 | 2015-10-14 | cif/ hkl/ Adding structures of 2020204, 2020205, 2020206 via cif-deposit CGI script. |
2020206.cif 2020206.hkl |
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Users of the data should acknowledge the original authors of the
structural data.