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Information card for entry 1550313
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| Coordinates | 1550313.cif |
|---|---|
| Structure factors | 1550313.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)isonicotinohydrazide monohydrate |
|---|---|
| Formula | C13 H12 Cl N3 O2 |
| Calculated formula | C13 H12 Cl N3 O2 |
| SMILES | Clc1ccc(/C=N/NC(=O)c2ccncc2)cc1.O |
| Title of publication | Polymorph of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)isonicotinohydrazide monohydrate |
| Authors of publication | Stondus, Jigmat; Anthal, Sumati; Jayashree, A.; Narayana, B.; Sarojini, B. K.; Kant, Rajni |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | x181634 |
| a | 6.4405 ± 0.0009 Å |
| b | 7.266 ± 0.0014 Å |
| c | 28.081 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1314.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1153 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212279 (current) | 2018-12-01 | cif/ hkl/ Adding structures of 1550313 via cif-deposit CGI script. |
1550313.cif 1550313.hkl |
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Users of the data should acknowledge the original authors of the
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