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Information card for entry 8107718
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| Coordinates | 8107718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-benzoyl-3-(3,4-dichlorophenyl)cyclopropane-1,1- dicarbonitrile |
|---|---|
| Formula | C18 H10 Cl2 N2 O |
| Calculated formula | C18 H10 Cl2 N2 O |
| SMILES | Clc1cc([C@H]2[C@H](C(=O)c3ccccc3)C2(C#N)C#N)ccc1Cl.Clc1cc([C@@H]2[C@@H](C(=O)c3ccccc3)C2(C#N)C#N)ccc1Cl |
| Title of publication | Crystal structure of 2-benzoyl-3-(3,4-dichlorophenyl)cyclopropane-1,1- dicarbonitrile, C18H10Cl2N2O |
| Authors of publication | Yanping, Yi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 2 |
| Pages of publication | 65 - 66 |
| a | 6.8195 ± 0.0005 Å |
| b | 9.6727 ± 0.0008 Å |
| c | 13.268 ± 0.001 Å |
| α | 98.491 ± 0.002° |
| β | 100.571 ± 0.002° |
| γ | 107.434 ± 0.002° |
| Cell volume | 801.44 ± 0.11 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288214 (current) | 2023-12-11 | cif/ Adding structures of 8107718 via cif-deposit CGI script. |
8107718.cif |
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