Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239101
Preview
| Coordinates | 2239101.cif |
|---|---|
| Structure factors | 2239101.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine |
|---|---|
| Formula | C17 H14 N2 S |
| Calculated formula | C17 H14 N2 S |
| SMILES | c1ccc(cc1)N(c1ccccc1)/N=C/c1cccs1 |
| Title of publication | (<i>E</i>)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine |
| Authors of publication | Cabrera-Vivas, Blanca M.; Flores-Alamo, Marcos; Meléndrez-Luévano, Ruth; Meléndez-Balbuena, Lidia; Ramirez, Juan C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o80 |
| a | 9.8336 ± 0.0011 Å |
| b | 9.8665 ± 0.0009 Å |
| c | 16.6357 ± 0.0008 Å |
| α | 100.29 ± 0.006° |
| β | 101.696 ± 0.007° |
| γ | 109.129 ± 0.009° |
| Cell volume | 1439.9 ± 0.3 Å3 |
| Cell temperature | 144 ± 2 K |
| Ambient diffraction temperature | 144 ± 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239101.cif 2239101.hkl |
| 181891 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239101.cif 2239101.hkl |
| 181310 | 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 2/23/91. |
2239101.cif 2239101.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. |
2239101.cif 2239101.hkl |
| 104990 | 2014-03-11 | cif/ hkl/ Adding structures of 2239101 via cif-deposit CGI script. |
2239101.cif 2239101.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.