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Information card for entry 2235139
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| Coordinates | 2235139.cif |
|---|---|
| Structure factors | 2235139.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>'^2^,<i>N</i>'^5^-Bis[(<i>E</i>)-2-hydroxybenzylidene]- 3,4-dimethylthiophene-2,5-dicarbohydrazide |
|---|---|
| Formula | C22 H20 N4 O4 S |
| Calculated formula | C22 H20 N4 O4 S |
| SMILES | N(=C\c1c(cccc1)O)/NC(=O)c1c(C)c(C)c(C(=O)N/N=C/c2c(cccc2)O)s1 |
| Title of publication | <i>N</i>'^2^,<i>N</i>'^5^-Bis[(<i>E</i>)-2-hydroxybenzylidene]-3,4-dimethylthiophene-2,5-dicarbohydrazide |
| Authors of publication | Zhang, Shao-Lin; Zhang, Ling; Wen, Qin-Mei; Geng, Rong-Xia; Zhou, Cheng-He |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o1752 |
| a | 8.392 ± 0.008 Å |
| b | 9.511 ± 0.009 Å |
| c | 12.937 ± 0.008 Å |
| α | 99.853 ± 0.017° |
| β | 90.804 ± 0.018° |
| γ | 92.374 ± 0.018° |
| Cell volume | 1016.2 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0773 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2235139.cif 2235139.hkl |
| 181273 | 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 2/23/51. |
2235139.cif 2235139.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. |
2235139.cif 2235139.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235139.cif 2235139.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. | 2235139.cif 2235139.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235139.cif 2235139.hkl |
| 61816 | 2012-07-05 | cif/ Adding structures of 2235139 via cif-deposit CGI script. |
2235139.cif |
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Users of the data should acknowledge the original authors of the
structural data.