Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233702
Preview
| Coordinates | 2233702.cif |
|---|---|
| Structure factors | 2233702.hkl |
| Original IUCr paper | HTML |
| Common name | 2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol salicylaldehyde azine |
|---|---|
| Chemical name | 2-((1<i>E</i>)-{(<i>E</i>)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1- ylidene}methyl)phenol |
| Formula | C14 H12 N2 O2 |
| Calculated formula | C14 H12 N2 O2 |
| SMILES | Oc1ccccc1/C=N/N=C/c1ccccc1O |
| Title of publication | Space group revsion of the triclinic polymorph of salicylaldehyde azine |
| Authors of publication | Saeed, Aamer; Bolte, Michael; Arshad, Muhammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o255 |
| a | 16.3621 ± 0.0011 Å |
| b | 5.918 ± 0.0004 Å |
| c | 13.1706 ± 0.0009 Å |
| α | 90° |
| β | 113.639 ± 0.005° |
| γ | 90° |
| Cell volume | 1168.31 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (current) | 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 2/23/37. |
2233702.cif 2233702.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. |
2233702.cif 2233702.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233702.cif 2233702.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. | 2233702.cif 2233702.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233702.cif 2233702.hkl |
| 38516 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233702 via cif-deposit CGI script. |
2233702.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.