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Information card for entry 1543177
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| Coordinates | 1543177.cif |
|---|---|
| Structure factors | 1543177.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | <i>N</i>-Benzylcinnamamide |
|---|---|
| Chemical name | <i>N</i>-Benzyl-3-phenylprop-2-enamide |
| Formula | C16 H15 N O |
| Calculated formula | C16 H15 N O |
| SMILES | C(=O)(/C=C/c1ccccc1)NCc1ccccc1 |
| Title of publication | <i>N</i>-Benzylcinnamamide |
| Authors of publication | Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160647 |
| a | 12.4817 ± 0.0006 Å |
| b | 12.3107 ± 0.0006 Å |
| c | 8.5737 ± 0.0004 Å |
| α | 90° |
| β | 94.276 ± 0.001° |
| γ | 90° |
| Cell volume | 1313.75 ± 0.11 Å3 |
| Cell temperature | 100.1 ± 0.1 K |
| Ambient diffraction temperature | 100.1 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543177.cif 1543177.hkl |
| 182317 | 2016-04-28 | cif/ hkl/ Adding structures of 1543177 via cif-deposit CGI script. |
1543177.cif 1543177.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.