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Information card for entry 2241190
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| Coordinates | 2241190.cif |
|---|---|
| Structure factors | 2241190.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(4-Ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide |
|---|---|
| Formula | C16 H22 N2 O2 S |
| Calculated formula | C16 H22 N2 O2 S |
| Title of publication | Crystal structure of <i>N</i>-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide |
| Authors of publication | Vimala, G.; Haribabu, J.; Srividya, S.; Karvembu, R.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o820 - o821 |
| a | 10.2273 ± 0.0007 Å |
| b | 12.0946 ± 0.0007 Å |
| c | 15.2099 ± 0.001 Å |
| α | 70.792 ± 0.003° |
| β | 89.1 ± 0.003° |
| γ | 69.737 ± 0.003° |
| Cell volume | 1656.42 ± 0.19 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 | 0.1174 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.2051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241190.cif 2241190.hkl |
| 160591 | 2015-10-07 | cif/ hkl/ Adding structures of 2241190 via cif-deposit CGI script. |
2241190.cif 2241190.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.