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Information card for entry 2238143
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| Coordinates | 2238143.cif |
|---|---|
| Structure factors | 2238143.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,5-Bis(2-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate |
|---|---|
| Formula | C18 H22 N4 O3 S |
| Calculated formula | C18 H22 N4 O3 S |
| SMILES | COc1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1OC.CO |
| Title of publication | 1,5-Bis(2-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate |
| Authors of publication | Yu, Jianfeng; Tang, Shiming; Zeng, Jingbin; Yan, Zifeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1147 |
| a | 7.7223 ± 0.0015 Å |
| b | 10.232 ± 0.002 Å |
| c | 12.648 ± 0.003 Å |
| α | 85.938 ± 0.003° |
| β | 80.796 ± 0.003° |
| γ | 79.55 ± 0.003° |
| Cell volume | 969.2 ± 0.4 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 | 0.0594 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238143.cif 2238143.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. |
2238143.cif 2238143.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238143.cif 2238143.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238143.cif 2238143.hkl |
| 87383 | 2013-08-27 | cif/ Adding structures of 2238143 via cif-deposit CGI script. |
2238143.cif |
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