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Information card for entry 2234254
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| Coordinates | 2234254.cif |
|---|---|
| Structure factors | 2234254.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Isobutylphenyl)-<i>N</i>'-[(3<i>Z</i>)-2-oxoindolin-3- ylidene]propanohydrazide |
|---|---|
| Formula | C21 H23 N3 O2 |
| Calculated formula | C21 H23 N3 O2 |
| SMILES | O=C1Nc2ccccc2C\1=N/NC(=O)C(C)c1ccc(cc1)CC(C)C |
| Title of publication | 2-(4-Isobutylphenyl)-<i>N</i>'-[(3<i>Z</i>)-2-oxoindolin-3-ylidene]propanohydrazide |
| Authors of publication | Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Singh, Kuldip; Potgieter, Herman |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1222 - o1223 |
| a | 30.366 ± 0.014 Å |
| b | 7.383 ± 0.003 Å |
| c | 21.904 ± 0.01 Å |
| α | 90° |
| β | 130.311 ± 0.008° |
| γ | 90° |
| Cell volume | 3745 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1423 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234254.cif 2234254.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. |
2234254.cif 2234254.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234254.cif 2234254.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. | 2234254.cif 2234254.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234254.cif 2234254.hkl |
| 55521 | 2012-05-05 | cif/ Adding structures of 2234254 via cif-deposit CGI script. |
2234254.cif |
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Users of the data should acknowledge the original authors of the
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