Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240462
Preview
| Coordinates | 2240462.cif |
|---|---|
| Structure factors | 2240462.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Benzamido-<i>N</i>-(2,2-diethoxyethyl)benzamide |
|---|---|
| Formula | C20 H24 N2 O4 |
| Calculated formula | C20 H24 N2 O4 |
| SMILES | N(C(=O)c1ccccc1)c1c(C(=O)NCC(OCC)OCC)cccc1 |
| Title of publication | Crystal structure of 2-benzamido-<i>N</i>-(2,2-diethoxyethyl)benzamide |
| Authors of publication | Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o214 - o215 |
| a | 8.4901 ± 0.0004 Å |
| b | 14.2281 ± 0.0007 Å |
| c | 15.3864 ± 0.0007 Å |
| α | 90° |
| β | 98.659 ± 0.004° |
| γ | 90° |
| Cell volume | 1837.46 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240462.cif 2240462.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240462.cif 2240462.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240462.cif 2240462.hkl |
| 132566 | 2015-02-28 | cif/ hkl/ Adding structures of 2240462 via cif-deposit CGI script. |
2240462.cif 2240462.hkl |
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.