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Information card for entry 2229033
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| Coordinates | 2229033.cif |
|---|---|
| Structure factors | 2229033.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-4-{1-[(2-Hydroxyethyl)amino]ethylidene}-3-methyl-1-phenyl-1<i>H</i>-\ pyrazol-5(4<i>H</i>)-one |
|---|---|
| Formula | C14 H17 N3 O2 |
| Calculated formula | C14 H14 N3 O2 |
| Title of publication | (<i>Z</i>)-4-{1-[(2-Hydroxyethyl)amino]ethylidene}-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one |
| Authors of publication | Jayarajan, R.; Sharmila, P.; Jagadeesan, G.; Vasuki, G.; Aravindhan, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o444 |
| a | 22.4703 ± 0.0013 Å |
| b | 7.0902 ± 0.0004 Å |
| c | 18.0565 ± 0.0011 Å |
| α | 90° |
| β | 110.926 ± 0.007° |
| γ | 90° |
| Cell volume | 2687 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181211 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/90. |
2229033.cif 2229033.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229033.cif 2229033.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229033.cif 2229033.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229033.cif 2229033.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229033.cif 2229033.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229033.cif 2229033.hkl |
| 12052 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2229033 via cif-deposit CGI script. |
2229033.cif |
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Users of the data should acknowledge the original authors of the
structural data.