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Information card for entry 2238350
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| Coordinates | 2238350.cif |
|---|---|
| Structure factors | 2238350.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>-Diethyl-4-[1-phenyl-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]aniline |
|---|---|
| Formula | C24 H26 N4 |
| Calculated formula | C24 H26 N4 |
| SMILES | CCN(c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccn1)CC |
| Title of publication | <i>N</i>,<i>N</i>-Diethyl-4-[1-phenyl-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]aniline |
| Authors of publication | Zhu, Ying-Zhong; Wang, Hui; Sun, Ping-Ping; Tian, Yu-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1316 |
| a | 14.902 ± 0.005 Å |
| b | 11.314 ± 0.005 Å |
| c | 12.479 ± 0.005 Å |
| α | 90° |
| β | 94.644 ± 0.005° |
| γ | 90° |
| Cell volume | 2097.1 ± 1.4 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 | 0.0986 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.2137 |
| Weighted residual factors for all reflections included in the refinement | 0.2414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 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 2/23/83. |
2238350.cif 2238350.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. |
2238350.cif 2238350.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238350.cif 2238350.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238350.cif 2238350.hkl |
| 88191 | 2013-09-04 | cif/ Adding structures of 2238350 via cif-deposit CGI script. |
2238350.cif |
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