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Information card for entry 7052531
Preview
| Coordinates | 7052531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2-(((1-hydroxycyclohexyl)methylimino)methyl) phenol |
|---|---|
| Chemical name | 2-{[(1-hydroxycyclohexyl)methylimino]methyl} phenol |
| Formula | C14 H19 N O2 |
| Calculated formula | C14 H19 N O2 |
| SMILES | c1(ccccc1=CNCC1(CCCCC1)O)=O |
| Title of publication | X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond |
| Authors of publication | Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 1 |
| Pages of publication | 156 |
| a | 9.027 ± 0.0018 Å |
| b | 6.23 ± 0.0012 Å |
| c | 22.198 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1248.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052531.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7052531.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052531.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052531.cif |
| 14945 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052530, 7052531, 7052532, 7052533, 7052534, 7052535, 7052536, 7052537 via cif-deposit CGI script. |
7052531.cif |
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Users of the data should acknowledge the original authors of the
structural data.