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Information card for entry 7053013
Preview
| Coordinates | 7053013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (4-(Diethylamino)phenyl)(pyridine-2-yl)methanol |
|---|---|
| Chemical name | (4-(Diethylamino)phenyl)(pyridine-2-yl)methanol |
| Formula | C16 H20 N2 O |
| Calculated formula | C16 H20 N2 O |
| SMILES | c1(C(c2ccc(cc2)N(CC)CC)O)ncccc1 |
| Title of publication | Friedel–Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols |
| Authors of publication | Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 3 |
| Pages of publication | 563 |
| a | 11.7951 ± 0.0006 Å |
| b | 9.4577 ± 0.0005 Å |
| c | 12.8525 ± 0.0007 Å |
| α | 90° |
| β | 91.093 ± 0.005° |
| γ | 90° |
| Cell volume | 1433.49 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0774 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053013.cif |
| 180084 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30. |
7053013.cif |
| 75563 | 2013-03-10 | cif/ Adding structures of 7053013, 7053014, 7053015, 7053016 via cif-deposit CGI script. |
7053013.cif |
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