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Information card for entry 1551792
Preview
| Coordinates | 1551792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 Cl3 F N3 O2 S |
|---|---|
| Calculated formula | C17 H19 Cl3 F N3 O2 S |
| SMILES | S(/C(N1CCN(CC1)c1ccc(F)cc1)=C(/N(=O)=O)C(=C(Cl)Cl)Cl)CCC |
| Title of publication | Crystal Structure of 1-(4-Fluorophenyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)buta-1,3-dien-1-yl]piperazine |
| Authors of publication | DENIZ, N. Gulsah; IBIS, Cemil |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 69 |
| a | 9.1823 ± 0.0005 Å |
| b | 10.9865 ± 0.0008 Å |
| c | 11.4414 ± 0.0005 Å |
| α | 62.374 ± 0.006° |
| β | 77.784 ± 0.008° |
| γ | 83.464 ± 0.008° |
| Cell volume | 999.31 ± 0.12 Å3 |
| Cell temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216404 (current) | 2019-06-20 | cif/ Adding structures of 1551792 via cif-deposit CGI script. |
1551792.cif |
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