Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232740
Preview
| Coordinates | 2232740.cif |
|---|---|
| Structure factors | 2232740.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 4-[(<i>E</i>)-(2-hydroxybenzylidene)amino]piperidine-1-carboxylate |
|---|---|
| Formula | C15 H20 N2 O3 |
| Calculated formula | C15 H20 N2 O3 |
| SMILES | c1(c(cccc1)O)/C=N/C1CCN(CC1)C(=O)OCC |
| Title of publication | Ethyl 4-[(<i>E</i>)-(2-hydroxybenzylidene)amino]piperidine-1-carboxylate |
| Authors of publication | Fang, Rui-Qin; Shan, Zhi-Li; Guo, Xing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3448 |
| a | 15.732 ± 0.003 Å |
| b | 9.189 ± 0.0018 Å |
| c | 10.414 ± 0.002 Å |
| α | 90° |
| β | 97.24 ± 0.03° |
| γ | 90° |
| Cell volume | 1493.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1115 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181249 (current) | 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 2/23/27. |
2232740.cif 2232740.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. |
2232740.cif 2232740.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232740.cif 2232740.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. | 2232740.cif 2232740.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232740.cif 2232740.hkl |
| 31618 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232740 via cif-deposit CGI script. |
2232740.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.