Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241560
Preview
| Coordinates | 2241560.cif |
|---|---|
| Structure factors | 2241560.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2,5-Bis{[(<i>R</i>)-(-)-1-(4-methoxyphenyl)ethyl]iminomethyl}thiophene |
|---|---|
| Formula | C24 H26 N2 O2 S |
| Calculated formula | C24 H26 N2 O2 S |
| SMILES | C(=N\[C@@H](c1ccc(OC)cc1)C)/c1ccc(s1)/C=N/[C@H](C)c1ccc(OC)cc1 |
| Title of publication | Crystal structures of four chiral imine-substituted thiophene derivatives |
| Authors of publication | Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 350 - 354 |
| a | 25.3917 ± 0.0013 Å |
| b | 5.9488 ± 0.0003 Å |
| c | 7.5623 ± 0.0004 Å |
| α | 90° |
| β | 97.174 ± 0.004° |
| γ | 90° |
| Cell volume | 1133.34 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241560.cif 2241560.hkl |
| 181916 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241560.cif 2241560.hkl |
| 176679 | 2016-02-18 | cif/ hkl/ Adding structures of 2241559, 2241560, 2241561, 2241562 via cif-deposit CGI script. |
2241560.cif 2241560.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.