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Information card for entry 2311160
Preview
| Coordinates | 2311160.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 5-Chloro-<i>N</i>'-cyclohexylidene-3-methyl-1<i>H</i>-indole-2-carbohydrazide |
|---|---|
| Formula | C16 H18 Cl N3 O |
| Calculated formula | C16 H18 Cl N3 O |
| SMILES | Clc1ccc2[nH]c(c(c2c1)C)C(=O)NN=C1CCCCC1 |
| Title of publication | 5-Chloro-N'-cyclo-hexyl-idene-3-methyl-1H-indole-2-carbohydrazide. |
| Authors of publication | Akkurt, Mehmet; Zopun, Muhammet; Capan, Gültaze; Büyükgüngör, Orhan |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 7 |
| Pages of publication | o1137 |
| a | 5.2727 ± 0.0005 Å |
| b | 9.7977 ± 0.0009 Å |
| c | 15.238 ± 0.0015 Å |
| α | 102.229 ± 0.007° |
| β | 95.732 ± 0.008° |
| γ | 92.332 ± 0.007° |
| Cell volume | 763.94 ± 0.13 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 | 0.1025 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311160.cif |
| 245632 | 2019-12-25 | cif/ Adding structures of 2311160 via cif-deposit CGI script. |
2311160.cif |
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Users of the data should acknowledge the original authors of the
structural data.