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Information card for entry 2240633
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| Coordinates | 2240633.cif |
|---|---|
| Structure factors | 2240633.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-3-(dimethoxymethyl)-6-methoxyquinoline |
|---|---|
| Formula | C13 H14 Cl N O3 |
| Calculated formula | C13 H14 Cl N O3 |
| SMILES | n1c(Cl)c(cc2cc(ccc12)OC)C(OC)OC |
| Title of publication | Crystal structure of 2-chloro-3-(dimethoxymethyl)-6-methoxyquinoline |
| Authors of publication | Chandrika, Nanjappa; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o364 - o365 |
| a | 27.1156 ± 0.0009 Å |
| b | 7.1401 ± 0.0003 Å |
| c | 13.0804 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2532.47 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0489 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240633.cif 2240633.hkl |
| 136424 | 2015-05-13 | cif/ hkl/ Adding structures of 2240633 via cif-deposit CGI script. |
2240633.cif 2240633.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.