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Information card for entry 1542528
Preview
| Coordinates | 1542528.cif |
|---|---|
| Structure factors | 1542528.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one |
|---|---|
| Formula | C14 H10 Cl N3 O |
| Calculated formula | C14 H10 Cl N3 O |
| SMILES | c12ccc(cc1/C(=N/Nc1ccccc1)C(=O)N2)Cl |
| Title of publication | (3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one |
| Authors of publication | Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 2 |
| Pages of publication | x160258 |
| a | 6.8759 ± 0.0004 Å |
| b | 8.2563 ± 0.0005 Å |
| c | 12.0403 ± 0.0007 Å |
| α | 109.156 ± 0.002° |
| β | 103.979 ± 0.002° |
| γ | 91.485 ± 0.002° |
| Cell volume | 622.41 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542528.cif 1542528.hkl |
| 176769 | 2016-02-20 | cif/ hkl/ Adding structures of 1542528 via cif-deposit CGI script. |
1542528.cif 1542528.hkl |
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Users of the data should acknowledge the original authors of the
structural data.