Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228838
Preview
| Coordinates | 2228838.cif |
|---|---|
| Structure factors | 2228838.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | i>N</i>'-(2-Chlorobenzylidene)-2-fluorobenzohydrazide |
|---|---|
| Formula | C14 H10 Cl F N2 O |
| Calculated formula | C14 H10 Cl F N2 O |
| SMILES | O=C(c1ccccc1F)N/N=C/c1ccccc1Cl |
| Title of publication | <i>N</i>'-(2-Chlorobenzylidene)-2-fluorobenzohydrazide |
| Authors of publication | Zhang, Wei-Guang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o233 |
| a | 7.111 ± 0.0014 Å |
| b | 25.291 ± 0.003 Å |
| c | 7.656 ± 0.0015 Å |
| α | 90° |
| β | 111.472 ± 0.003° |
| γ | 90° |
| Cell volume | 1281.3 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0927 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2228838.cif 2228838.hkl |
| 181209 | 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 2/22/88. |
2228838.cif 2228838.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. |
2228838.cif 2228838.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228838.cif 2228838.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. | 2228838.cif 2228838.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228838.cif 2228838.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228838.cif 2228838.hkl |
| 10044 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228838 via cif-deposit CGI script. |
2228838.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.