Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236849
Preview
| Coordinates | 2236849.cif |
|---|---|
| Structure factors | 2236849.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 6-Methylpyridin-2-amine |
|---|---|
| Formula | C6 H8 N2 |
| Calculated formula | C6 H8 N2 |
| SMILES | n1c(N)cccc1C |
| Title of publication | 6-Methylpyridin-2-amine |
| Authors of publication | Draguta, Sergiu; Khrustalev, Victor N.; Sandhu, Bhupinder; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3466 |
| a | 9.1006 ± 0.0011 Å |
| b | 6.2458 ± 0.0008 Å |
| c | 10.5598 ± 0.0013 Å |
| α | 90° |
| β | 100.952 ± 0.002° |
| γ | 90° |
| Cell volume | 589.29 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236849.cif 2236849.hkl |
| 181290 | 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 2/23/68. |
2236849.cif 2236849.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. |
2236849.cif 2236849.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236849.cif 2236849.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. | 2236849.cif 2236849.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236849.cif 2236849.hkl |
| 71100 | 2013-01-18 | cif/ Adding structures of 2236849 via cif-deposit CGI script. |
2236849.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.