Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239492
Preview
| Coordinates | 2239492.cif |
|---|---|
| Structure factors | 2239492.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-2-Benzylidene-<i>N</i>-phenylhydrazinecarboxamide |
|---|---|
| Formula | C14 H13 N3 O |
| Calculated formula | C14 H13 N3 O |
| SMILES | O=C(Nc1ccccc1)N/N=C/c1ccccc1 |
| Title of publication | (2<i>E</i>)-2-Benzylidene-<i>N</i>-phenylhydrazinecarboxamide |
| Authors of publication | Layana, S. R.; Sithambaresan, M.; Siji, V. L.; Sudarsanakumar, M. R.; Suma, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o591 |
| a | 13.6308 ± 0.0014 Å |
| b | 5.4023 ± 0.0005 Å |
| c | 17.5751 ± 0.0019 Å |
| α | 90° |
| β | 93.065 ± 0.004° |
| γ | 90° |
| Cell volume | 1292.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239492.cif 2239492.hkl |
| 181313 | 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 2/23/94. |
2239492.cif 2239492.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. |
2239492.cif 2239492.hkl |
| 111749 | 2014-04-27 | cif/ hkl/ Adding structures of 2239492 via cif-deposit CGI script. |
2239492.cif 2239492.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.