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Information card for entry 2242541
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| Coordinates | 2242541.cif |
|---|---|
| Structure factors | 2242541.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(2-Hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide |
|---|---|
| Formula | C20 H19 N O2 |
| Calculated formula | C20 H19 N O2 |
| SMILES | Oc1c(C(NC(=O)C)c2cc(ccc2)C)c2c(cc1)cccc2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide |
| Authors of publication | Boudebbous, Khawla; Zemamouche, Wissem; Debache, Abdelmadjid; Hamdouni, Noudjoud; Boudjada, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 7 |
| Pages of publication | 1002 - 1005 |
| a | 24.3079 ± 0.0016 Å |
| b | 7.5677 ± 0.0004 Å |
| c | 18.4555 ± 0.0014 Å |
| α | 90° |
| β | 110.024 ± 0.008° |
| γ | 90° |
| Cell volume | 3189.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0931 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208582 (current) | 2018-06-21 | cif/ hkl/ Adding structures of 2242541 via cif-deposit CGI script. |
2242541.cif 2242541.hkl |
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Users of the data should acknowledge the original authors of the
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