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Information card for entry 7244077
Preview
Coordinates | 7244077.cif |
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Original paper (by DOI) | HTML |
Common name | Sulfathiazole, N,N-dibutylformamide solvate |
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Chemical name | Sulfathiazole, N,N-dibutylformamide (2:1) solvate |
Formula | C27 H37 N7 O5 S4 |
Calculated formula | C27 H37 N7 O5 S4 |
Title of publication | The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies |
Authors of publication | Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D. |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
Journal volume | 24 |
Journal issue | 3 |
Pages of publication | 609 - 619 |
a | 16.616 ± 0.003 Å |
b | 16.088 ± 0.003 Å |
c | 12.63 ± 0.003 Å |
α | 90° |
β | 110.69 ± 0.03° |
γ | 90° |
Cell volume | 3158.5 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0439 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7244077.html
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