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Information card for entry 7225536
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Coordinates | 7225536.cif |
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Original paper (by DOI) | HTML |
Common name | Tolbutamide form I^L^ |
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Chemical name | N-(Butylcarbamoyl)-4-methylbenzenesulfonamide |
Formula | C12 H18 N2 O3 S |
Calculated formula | C12 H18 N2 O3 S |
SMILES | Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC |
Title of publication | Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide |
Authors of publication | Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 30 |
Pages of publication | 5736 |
a | 20.2133 ± 0.0006 Å |
b | 7.8233 ± 0.0002 Å |
c | 9.0717 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1434.55 ± 0.06 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0424 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7225536.html
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