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Information card for entry 2242871
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| Coordinates | 2242871.cif |
|---|---|
| Structure factors | 2242871.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>Z</i>)-3-(4-Chlorophenyl)-2-phenylacrylonitrile |
|---|---|
| Formula | C15 H10 Cl N |
| Calculated formula | C15 H10 Cl N |
| Title of publication | Quantitative analysis of weak non-covalent interactions in (<i>Z</i>)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from <i>PIXEL</i> and Hirshfeld surface analysis |
| Authors of publication | Udayakumar, Mani; Cerón, Margarita; Ceballos, Paulina; Percino, Judith; Thamotharan, Subbiah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 499 - 505 |
| a | 13.3417 ± 0.0008 Å |
| b | 7.103 ± 0.0005 Å |
| c | 25.1418 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2382.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214373 (current) | 2019-03-27 | cif/ hkl/ Adding structures of 2242871 via cif-deposit CGI script. |
2242871.cif 2242871.hkl |
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