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Information card for entry 2235868
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| Coordinates | 2235868.cif |
|---|---|
| Structure factors | 2235868.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-(4- isobutylphenyl)propanohydrazide |
|---|---|
| Formula | C20 H23 Br N2 O2 |
| Calculated formula | C20 H23 Br N2 O2 |
| SMILES | CC(Cc1ccc(cc1)C(C(=O)N/N=C/c1cc(Br)ccc1O)C)C |
| Title of publication | (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-(4-isobutylphenyl)propanohydrazide |
| Authors of publication | Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | o2364 - o2365 |
| a | 16.598 ± 0.008 Å |
| b | 35.455 ± 0.018 Å |
| c | 9.821 ± 0.005 Å |
| α | 90° |
| β | 90.718 ± 0.005° |
| γ | 90° |
| Cell volume | 5779 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1106 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.226 |
| Weighted residual factors for all reflections included in the refinement | 0.2455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181280 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/58. |
2235868.cif 2235868.hkl |
| 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. |
2235868.cif 2235868.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235868.cif 2235868.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235868.cif 2235868.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235868.cif 2235868.hkl |
| 65943 | 2012-09-06 | cif/ Adding structures of 2235868 via cif-deposit CGI script. |
2235868.cif |
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Users of the data should acknowledge the original authors of the
structural data.