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Information card for entry 2239851
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| Coordinates | 2239851.cif |
|---|---|
| Structure factors | 2239851.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-Cyano-<i>N</i>'-(cyclohexylidene)acetohydrazide |
|---|---|
| Formula | C9 H13 N3 O |
| Calculated formula | C9 H13 N3 O |
| SMILES | C1(=NNC(=O)CC#N)CCCCC1 |
| Title of publication | Crystal structure of 2-cyano-<i>N</i>'-(cyclohexylidene)acetohydrazide |
| Authors of publication | Harrison, William T. A.; Al-Sakka, Ola K.; Fleita, Daisy H.; Saleh, Amina; Salem, Sara |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o886 |
| a | 4.842 ± 0.0002 Å |
| b | 9.7407 ± 0.0007 Å |
| c | 10.7071 ± 0.0008 Å |
| α | 73.917 ± 0.009° |
| β | 82.819 ± 0.01° |
| γ | 75.98 ± 0.009° |
| Cell volume | 469.87 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239851.cif 2239851.hkl |
| 181317 | 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 2/23/98. |
2239851.cif 2239851.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. |
2239851.cif 2239851.hkl |
| 121833 | 2014-08-10 | cif/ hkl/ Adding structures of 2239851 via cif-deposit CGI script. |
2239851.cif 2239851.hkl |
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Users of the data should acknowledge the original authors of the
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