Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101690
Preview
| Coordinates | 8101690.cif |
|---|---|
| External links | ChemSpider; PubChem |
| Chemical name | 2-[2,6-di(methylethyl)phenylamino]pyridine |
|---|---|
| Formula | C17 H22 N2 |
| Calculated formula | C17 H22 N2 |
| SMILES | n1c(cccc1)Nc1c(cccc1C(C)C)C(C)C |
| Title of publication | Crystal structure of 2-[2,6-di(methylethyl)phenylamino]pyridine, C~17~H~22~N~2~ |
| Authors of publication | M. Polamo; M. Talja; A. J. Piironen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 1 |
| Pages of publication | 41 - 42 |
| a | 10.705 ± 0.002 Å |
| b | 14.654 ± 0.003 Å |
| c | 19.558 ± 0.004 Å |
| α | 90° |
| β | 94.74 ± 0.03° |
| γ | 90° |
| Cell volume | 3057.6 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0972 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.185 |
| Weighted residual factors for all reflections included in the refinement | 0.1958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101690.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8101690.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101690.cif |
| 107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101690.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101690.cif |
| 12429 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101690 via cif-deposit CGI script. |
8101690.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.