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Information card for entry 2019115
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| Coordinates | 2019115.cif |
|---|---|
| Structure factors | 2019115.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline |
|---|---|
| Formula | C14 H16 N2 |
| Calculated formula | C14 H16 N2 |
| SMILES | [nH]1cccc1/C(=N/c1ccc(c(c1)C)C)C |
| Title of publication | 3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue |
| 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 | 9 |
| Pages of publication | 1073 - 1076 |
| a | 13.013 ± 0.003 Å |
| b | 10.265 ± 0.002 Å |
| c | 9.892 ± 0.002 Å |
| α | 90° |
| β | 110.448 ± 0.004° |
| γ | 90° |
| Cell volume | 1238.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1157 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1501 |
| Weighted residual factors for all reflections included in the refinement | 0.1894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (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 2/01/91. |
2019115.cif 2019115.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. |
2019115.cif 2019115.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019115.cif 2019115.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019115.cif 2019115.hkl |
| 88596 | 2013-10-02 | cif/ Adding structures of 2019115, 2019116 via cif-deposit CGI script. |
2019115.cif |
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Users of the data should acknowledge the original authors of the
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