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Information card for entry 2240370
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| Coordinates | 2240370.cif |
|---|---|
| Structure factors | 2240370.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-{[2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate |
|---|---|
| Formula | C13 H16 Cl3 N3 O4 |
| Calculated formula | C13 H16 Cl3 N3 O4 |
| SMILES | Clc1c(/C=N/NC(=O)c2c[nH+]ccc2)ccc(Cl)c1.[Cl-].O.O.O |
| Title of publication | Crsytal structure of (<i>E</i>)-3-{[2-(2,4-dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate |
| Authors of publication | Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o105 - o106 |
| a | 8.4631 ± 0.0004 Å |
| b | 9.5968 ± 0.0005 Å |
| c | 10.83 ± 0.0006 Å |
| α | 76.604 ± 0.002° |
| β | 89.155 ± 0.002° |
| γ | 83.195 ± 0.002° |
| Cell volume | 849.56 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| 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 |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240370.cif 2240370.hkl |
| 181323 | 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 2/24/03. |
2240370.cif 2240370.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. |
2240370.cif 2240370.hkl |
| 129520 | 2015-01-11 | cif/ hkl/ Adding structures of 2240370 via cif-deposit CGI script. |
2240370.cif 2240370.hkl |
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Users of the data should acknowledge the original authors of the
structural data.