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Information card for entry 2232333
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| Coordinates | 2232333.cif |
|---|---|
| Structure factors | 2232333.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-(Adamantan-2-ylidene)thiophene-2-carbohydrazide |
|---|---|
| Formula | C15 H18 N2 O S |
| Calculated formula | C15 H18 N2 O S |
| SMILES | O=C(c1cccs1)NN=C1C2CC3CC1CC(C2)C3 |
| Title of publication | <i>N</i>'-(Adamantan-2-ylidene)thiophene-2-carbohydrazide |
| Authors of publication | Kadi, Adnan A.; Alanzi, Amer M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o3127 |
| a | 16.7262 ± 0.0002 Å |
| b | 12.5663 ± 0.0001 Å |
| c | 13.5562 ± 0.0002 Å |
| α | 90° |
| β | 102.473 ± 0.001° |
| γ | 90° |
| Cell volume | 2782.08 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (current) | 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 2/23/23. |
2232333.cif 2232333.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. |
2232333.cif 2232333.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232333.cif 2232333.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232333.cif 2232333.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232333.cif 2232333.hkl |
| 30988 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232333 via cif-deposit CGI script. |
2232333.cif |
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Users of the data should acknowledge the original authors of the
structural data.