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Information card for entry 2239631
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| Coordinates | 2239631.cif |
|---|---|
| Structure factors | 2239631.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide |
|---|---|
| Formula | C12 H8 Cl F N2 O S |
| Calculated formula | C12 H8 Cl F N2 O S |
| SMILES | Fc1ccccc1/C=N/NC(=O)c1sccc1Cl |
| Title of publication | (<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide |
| Authors of publication | Sultan, Sadia; Taha, Muhammad; Shah, Syed Adnan Ali; Yamin, Bohari M.; Zaki, Hamizah Mohd |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o751 |
| a | 5.6833 ± 0.0003 Å |
| b | 13.0817 ± 0.0006 Å |
| c | 16.4001 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1219.3 ± 0.1 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0231 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239631.cif 2239631.hkl |
| 181315 | 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 2/23/96. |
2239631.cif 2239631.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. |
2239631.cif 2239631.hkl |
| 115553 | 2014-06-04 | cif/ hkl/ Adding structures of 2239631 via cif-deposit CGI script. |
2239631.cif 2239631.hkl |
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Users of the data should acknowledge the original authors of the
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