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Information card for entry 2018846
Preview
| Coordinates | 2018846.cif |
|---|---|
| Structure factors | 2018846.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 10-(2-Chloroethyl)acridin-9(10<i>H</i>)-one |
|---|---|
| Formula | C15 H12 Cl N O |
| Calculated formula | C15 H12 Cl N O |
| SMILES | c1cccc2c1C(=O)c1c(cccc1)N2CCCl |
| Title of publication | Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one |
| Authors of publication | He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 289 - 292 |
| a | 9.3632 ± 0.0016 Å |
| b | 16.449 ± 0.003 Å |
| c | 8.0359 ± 0.0014 Å |
| α | 90° |
| β | 92.151 ± 0.002° |
| γ | 90° |
| Cell volume | 1236.8 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018846.cif 2018846.hkl |
| 201957 | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018846.cif 2018846.hkl |
| 180857 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/88. |
2018846.cif 2018846.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018846.cif 2018846.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018846.cif 2018846.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018846.cif 2018846.hkl |
| 78881 | 2013-04-02 | cif/ Adding structures of 2018845, 2018846 via cif-deposit CGI script. |
2018846.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.