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Information card for entry 7026696
Preview
| Coordinates | 7026696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | N-(2,4,6-trimethylphenyl)-N,N-(2,2'-dipyridyl)amine |
|---|---|
| Chemical name | N-(2,4,6-trimethylphenyl)-N,N-(2,2'-dipyridyl)amine |
| Formula | C19 H19 N3 |
| Calculated formula | C19 H19 N3 |
| SMILES | N(c1ncccc1)(c1ncccc1)c1c(cc(cc1C)C)C |
| Title of publication | Synthesis and characterization of aryl substituted bis(2-pyridyl)amines and their copper olefin complexes: investigation of remote steric control over olefin binding. |
| Authors of publication | Allen, John J.; Hamilton, Christopher E.; Barron, Andrew R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 47 |
| Pages of publication | 11451 - 11468 |
| a | 7.2638 ± 0.0015 Å |
| b | 13.053 ± 0.003 Å |
| c | 17.072 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1618.7 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Ambient diffracton pressure | 101.33 kPa |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1016 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026696.cif |
| 179972 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66. |
7026696.cif |
| 93568 | 2014-01-13 | cif/ Adding structures of 7026696, 7026697, 7026698, 7026699, 7026700, 7026701, 7026702, 7026703, 7026704, 7026705, 7026706 via cif-deposit CGI script. |
7026696.cif |
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Users of the data should acknowledge the original authors of the
structural data.