Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229074
Preview
| Coordinates | 2229074.cif |
|---|---|
| Structure factors | 2229074.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-(4-nitrobenzamido)benzoate |
|---|---|
| Formula | C16 H14 N2 O5 |
| Calculated formula | C16 H14 N2 O5 |
| Title of publication | Ethyl 2-(4-nitrobenzamido)benzoate, a non-merohedral twin |
| Authors of publication | Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Butcher, Ray J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o465 |
| a | 6.9802 ± 0.0003 Å |
| b | 9.357 ± 0.0004 Å |
| c | 12.5779 ± 0.0005 Å |
| α | 102.833 ± 0.004° |
| β | 94.296 ± 0.004° |
| γ | 107.567 ± 0.004° |
| Cell volume | 754.68 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181211 (current) | 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 2/22/90. |
2229074.cif 2229074.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. |
2229074.cif 2229074.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229074.cif 2229074.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. | 2229074.cif 2229074.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229074.cif 2229074.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229074.cif 2229074.hkl |
| 12103 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229074 via cif-deposit CGI script. |
2229074.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.