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Information card for entry 2227613
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| Coordinates | 2227613.cif |
|---|---|
| Structure factors | 2227613.hkl |
| Original IUCr paper | HTML |
| Common name | piperidine |
|---|---|
| Chemical name | (<i>E</i>)-<i>N</i>'-(3,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)isonicotinohydrazide |
| Formula | C25 H26 N4 O |
| Calculated formula | C25 H26 N4 O |
| SMILES | O=C(N/N=C\1C([C@@H](N[C@@H](C1)c1ccccc1)c1ccccc1)(C)C)c1ccncc1.O=C(N/N=C\1C([C@H](N[C@H](C1)c1ccccc1)c1ccccc1)(C)C)c1ccncc1 |
| Title of publication | (<i>E</i>)-<i>N</i>'-(3,3-Dimethyl-2,6-diphenylpiperidin-4-ylidene)isonicotinohydrazide |
| Authors of publication | Sankar, C.; Pandiarajan, K.; Thiruvalluvar, A.; Gayathri, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2841 |
| a | 6.2128 ± 0.0001 Å |
| b | 12.8346 ± 0.0003 Å |
| c | 15.0022 ± 0.0003 Å |
| α | 65.293 ± 0.001° |
| β | 78.823 ± 0.001° |
| γ | 86.948 ± 0.001° |
| Cell volume | 1065.62 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76. |
2227613.cif 2227613.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227613.cif 2227613.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227613.cif 2227613.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. | 2227613.cif 2227613.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227613.cif 2227613.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227613.cif 2227613.hkl |
| 4650 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227613 via cif-deposit CGI script. |
2227613.cif |
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Users of the data should acknowledge the original authors of the
structural data.