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Information card for entry 2237460
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| Coordinates | 2237460.cif |
|---|---|
| Structure factors | 2237460.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | {[(1<i>Z</i>)-3-Chloro-1<i>H</i>-isoindol-1-ylidene]methyl}dimethylamine |
|---|---|
| Formula | C11 H11 Cl N2 |
| Calculated formula | C11 H11 Cl N2 |
| SMILES | c1cccc2c1C(Cl)=N/C2=C\N(C)C |
| Title of publication | {[(1<i>Z</i>)-3-Chloro-1<i>H</i>-isoindol-1-ylidene]methyl}dimethylamine |
| Authors of publication | Wang, Zhao-Yun; Yu, Chang-Jiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o448 |
| a | 12.1588 ± 0.0009 Å |
| b | 10.4087 ± 0.0008 Å |
| c | 16.3165 ± 0.0012 Å |
| α | 90° |
| β | 92.72 ± 0.001° |
| γ | 90° |
| Cell volume | 2062.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237460.cif 2237460.hkl |
| 181296 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/74. |
2237460.cif 2237460.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237460.cif 2237460.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. |
2237460.cif 2237460.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237460.cif 2237460.hkl |
| 78741 | 2013-04-02 | cif/ Adding structures of 2237460 via cif-deposit CGI script. |
2237460.cif |
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Users of the data should acknowledge the original authors of the
structural data.