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Information card for entry 2240882
Preview
| Coordinates | 2240882.cif |
|---|---|
| Structure factors | 2240882.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-[(Naphthalen-1-yl)carbamothioyl]cyclohexanecarboxamide |
|---|---|
| Formula | C18 H20 N2 O S |
| Calculated formula | C18 H20 N2 O S |
| Title of publication | Crystal structure of <i>N</i>-[(naphthalen-1-yl)carbamothioyl]cyclohexanecarboxamide |
| Authors of publication | Vimala, G.; Haribabu, J.; Aishwarya, S.; Karvembu, R.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o508 - o509 |
| a | 7.0464 ± 0.0005 Å |
| b | 11.0379 ± 0.0005 Å |
| c | 12.4151 ± 0.0008 Å |
| α | 110.873 ± 0.003° |
| β | 100.66 ± 0.003° |
| γ | 104.022 ± 0.003° |
| Cell volume | 835.24 ± 0.09 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1769 |
| Weighted residual factors for all reflections included in the refinement | 0.2194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2240882.cif 2240882.hkl |
| 181908 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240882.cif 2240882.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240882.cif 2240882.hkl |
| 139741 | 2015-06-28 | cif/ hkl/ Adding structures of 2240882 via cif-deposit CGI script. |
2240882.cif 2240882.hkl |
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Users of the data should acknowledge the original authors of the
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