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Information card for entry 2239695
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| Coordinates | 2239695.cif |
|---|---|
| Structure factors | 2239695.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea |
|---|---|
| Formula | C10 H17 N3 S |
| Calculated formula | C10 H17 N3 S |
| Title of publication | 1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea |
| Authors of publication | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o827 - o828 |
| a | 8.4772 ± 0.0015 Å |
| b | 11.18 ± 0.002 Å |
| c | 19.766 ± 0.004 Å |
| α | 77.864 ± 0.003° |
| β | 82.777 ± 0.003° |
| γ | 74.879 ± 0.003° |
| Cell volume | 1763.1 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1167 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.2165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239695.cif 2239695.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239695.cif 2239695.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239695.cif 2239695.hkl |
| 118132 | 2014-06-26 | cif/ hkl/ Adding structures of 2239695 via cif-deposit CGI script. |
2239695.cif 2239695.hkl |
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Users of the data should acknowledge the original authors of the
structural data.