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Information card for entry 2006160
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| Coordinates | 2006160.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-butylthiophen-3-carboxamide |
|---|---|
| Formula | C9 H13 N O S |
| Calculated formula | C9 H13 N O S |
| SMILES | s1cc(cc1)C(=O)NCCCC |
| Title of publication | <i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K |
| Authors of publication | Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 641 - 644 |
| a | 9.7232 ± 0.0011 Å |
| b | 9.2506 ± 0.0013 Å |
| c | 10.6178 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 955 ± 0.2 Å3 |
| Cell temperature | 130 ± 1 K |
| Ambient diffraction temperature | 130 ± 1 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections | 0.1045 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Goodness-of-fit parameter for all reflections | 1.072 |
| Goodness-of-fit parameter for significantly intense reflections | 1.077 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα(nickelfiltered) |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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