Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228713
Preview
| Coordinates | 2228713.cif |
|---|---|
| Structure factors | 2228713.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[4-(2-Methoxyphenyl)piperazin-1-yl]-<i>N</i>-(pyridin-2-yl)acetamide |
|---|---|
| Formula | C18 H22 N4 O2 |
| Calculated formula | C18 H22 N4 O2 |
| SMILES | COc1ccccc1N1CCN(CC1)CC(=O)Nc1ccccn1 |
| Title of publication | 2-[4-(2-Methoxyphenyl)piperazin-1-yl]-<i>N</i>-(pyridin-2-yl)acetamide |
| Authors of publication | Lu, Chunxiong; Jiang, Quanfu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o223 |
| a | 11.595 ± 0.004 Å |
| b | 12.382 ± 0.004 Å |
| c | 14.073 ± 0.004 Å |
| α | 106.228 ± 0.004° |
| β | 91.767 ± 0.003° |
| γ | 114.627 ± 0.002° |
| Cell volume | 1738.2 ± 1 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 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 | 0.1055 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
2228713.cif 2228713.hkl |
| 181208 | 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 2/22/87. |
2228713.cif 2228713.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. |
2228713.cif 2228713.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228713.cif 2228713.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. | 2228713.cif 2228713.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228713.cif 2228713.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228713.cif 2228713.hkl |
| 9846 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228713 via cif-deposit CGI script. |
2228713.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.