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Information card for entry 2241367
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| Coordinates | 2241367.cif |
|---|---|
| Structure factors | 2241367.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-{[Bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol |
|---|---|
| Formula | C22 H19 Cl N4 O |
| Calculated formula | C22 H19 Cl N4 O |
| SMILES | Clc1cc(c(O)c2ncccc12)CN(Cc1ncccc1)Cc1ncccc1 |
| Title of publication | Crystal structure of 7-{[bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol |
| Authors of publication | Kubono, Koji; Kado, Kimiko; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1545 - 1547 |
| a | 8.317 ± 0.0005 Å |
| b | 11.5993 ± 0.0007 Å |
| c | 11.6135 ± 0.0006 Å |
| α | 116.847 ± 0.0013° |
| β | 105.281 ± 0.0013° |
| γ | 92.011 ± 0.0017° |
| Cell volume | 948.68 ± 0.1 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0918 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241367.cif 2241367.hkl |
| 170601 | 2015-11-29 | cif/ hkl/ Adding structures of 2241367 via cif-deposit CGI script. |
2241367.cif 2241367.hkl |
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public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.