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Information card for entry 2236879
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| Coordinates | 2236879.cif |
|---|---|
| Structure factors | 2236879.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride |
|---|---|
| Formula | C20 H26 Cl N3 O2 |
| Calculated formula | C20 H26 Cl N3 O2 |
| SMILES | c1(ccccc1/C=N/CCC[NH2+]CCC/N=C/c1c(cccc1)O)O.[Cl-] |
| Title of publication | Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride |
| Authors of publication | AlDamen, Murad A.; Haddad, Salim F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3314 |
| a | 4.9848 ± 0.0003 Å |
| b | 38.714 ± 0.002 Å |
| c | 10.3299 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1993.5 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0914 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (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 2/23/68. |
2236879.cif 2236879.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. |
2236879.cif 2236879.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2236879.cif 2236879.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236879.cif 2236879.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. | 2236879.cif 2236879.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236879.cif 2236879.hkl |
| 71140 | 2013-01-18 | cif/ Adding structures of 2236879 via cif-deposit CGI script. |
2236879.cif |
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Users of the data should acknowledge the original authors of the
structural data.