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Information card for entry 2234318
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| Coordinates | 2234318.cif |
|---|---|
| Structure factors | 2234318.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-[2-methyl-5-(prop-1-en- 2-yl)cyclohex-2-enylidene]benzohydrazide |
|---|---|
| Formula | C25 H29 N3 O |
| Calculated formula | C25 H29 N3 O |
| SMILES | O=C(N/N=C1/C(=CC[C@H](C1)C(C)=C)C)c1ccccc1Nc1cccc(c1C)C |
| Title of publication | (<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]benzohydrazide |
| Authors of publication | Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1135 |
| a | 9.0296 ± 0.0004 Å |
| b | 18.0457 ± 0.0007 Å |
| c | 27.4755 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4477 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0848 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| 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. |
2234318.cif 2234318.hkl |
| 181265 | 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 2/23/43. |
2234318.cif 2234318.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. |
2234318.cif 2234318.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234318.cif 2234318.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. | 2234318.cif 2234318.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234318.cif 2234318.hkl |
| 55589 | 2012-05-05 | cif/ Adding structures of 2234318 via cif-deposit CGI script. |
2234318.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.