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Information card for entry 2018975
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| Coordinates | 2018975.cif |
|---|---|
| Structure factors | 2018975.hkl |
| Original IUCr paper | HTML |
| Common name | 3-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline |
|---|---|
| Chemical name | 3-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline |
| Formula | C12 H11 Cl N2 |
| Calculated formula | C12 H11 Cl N2 |
| Title of publication | Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline |
| Authors of publication | Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 522 - 525 |
| a | 23.722 ± 0.015 Å |
| b | 5.72 ± 0.004 Å |
| c | 16.868 ± 0.011 Å |
| α | 90° |
| β | 98.404 ± 0.01° |
| γ | 90° |
| Cell volume | 2264 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 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 2/01/89. |
2018975.cif 2018975.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. |
2018975.cif 2018975.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. |
2018975.cif 2018975.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018975.cif 2018975.hkl |
| 86651 | 2013-07-11 | cif/ Adding structures of 2018975, 2018976 via cif-deposit CGI script. |
2018975.cif |
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Users of the data should acknowledge the original authors of the
structural data.