Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240314
Preview
| Coordinates | 2240314.cif |
|---|---|
| Structure factors | 2240314.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-[(<i>E</i>)-2-Benzylidenehydrazin-1-ylidene]-1,2-diphenylethanone |
|---|---|
| Formula | C21 H16 N2 O |
| Calculated formula | C21 H16 N2 O |
| SMILES | c1(ccccc1)C(=O)\C(c1ccccc1)=N/N=C/c1ccccc1 |
| Title of publication | Crystal structure of (<i>Z</i>)-2-[(<i>E</i>)-2-benzylidenehydrazin-1-ylidene]-1,2-diphenylethanone |
| Authors of publication | Bouchama, Abdelaziz; Yahiaoui, Messaoud; Chiter, Chaabane; Setifi, Zouaoui; Simpson, Jim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 35 - 37 |
| a | 8.1653 ± 0.0003 Å |
| b | 27.6113 ± 0.0011 Å |
| c | 29.6818 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6691.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F 2 d d |
| Hall space group symbol | F -2d 2 |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240314.cif 2240314.hkl |
| 181323 | 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 2/24/03. |
2240314.cif 2240314.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. |
2240314.cif 2240314.hkl |
| 128746 | 2014-12-14 | cif/ hkl/ Adding structures of 2240314 via cif-deposit CGI script. |
2240314.cif 2240314.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.