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Information card for entry 2232031
Preview
| Coordinates | 2232031.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)- 1<i>H</i>-indole-3-carbohydrazide |
|---|---|
| Formula | C18 H16 Br N3 O3 |
| Calculated formula | C18 H16 Br N3 O3 |
| SMILES | Brc1cc(OC)c(O)c(c1)/C=N/NC(=O)Cc1c[nH]c2ccccc12 |
| Title of publication | (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-1<i>H</i>-indole-3-carbohydrazide |
| Authors of publication | Li, Xiao-Yan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2815 |
| a | 15.023 ± 0.003 Å |
| b | 13.86 ± 0.003 Å |
| c | 24.856 ± 0.004 Å |
| α | 90° |
| β | 102.192 ± 0.002° |
| γ | 90° |
| Cell volume | 5058.8 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1606 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2232031.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232031.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232031.cif |
| 29320 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232031 via cif-deposit CGI script. |
2232031.cif |
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Users of the data should acknowledge the original authors of the
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