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Information card for entry 2240190
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| Coordinates | 2240190.cif |
|---|---|
| Structure factors | 2240190.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide |
|---|---|
| Formula | C14 H13 Cl N2 O2 S |
| Calculated formula | C14 H13 Cl N2 O2 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)Cl |
| Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph |
| Authors of publication | Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1250 - o1251 |
| a | 10.8907 ± 0.0003 Å |
| b | 10.8907 ± 0.0003 Å |
| c | 21.4542 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2203.71 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240190.cif 2240190.hkl |
| 181901 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240190.cif 2240190.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240190.cif 2240190.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240190.cif 2240190.hkl |
| 126949 | 2014-11-12 | cif/ hkl/ Adding structures of 2240190 via cif-deposit CGI script. |
2240190.cif 2240190.hkl |
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Users of the data should acknowledge the original authors of the
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