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Information card for entry 2019925
Preview
| Coordinates | 2019925.cif |
|---|---|
| Structure factors | 2019925.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-4-[(Cyclohexylamino)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one |
|---|---|
| Formula | C17 H21 N3 O |
| Calculated formula | C17 H21 N3 O |
| Title of publication | Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers |
| Authors of publication | Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| a | 7.3348 ± 0.0003 Å |
| b | 7.3614 ± 0.001 Å |
| c | 29.2335 ± 0.0006 Å |
| α | 91.243 ± 0.003° |
| β | 92.678 ± 0.01° |
| γ | 101.004 ± 0.004° |
| Cell volume | 1547 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019925.cif 2019925.hkl |
| 180867 | 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 2/01/99. |
2019925.cif 2019925.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. |
2019925.cif 2019925.hkl |
| 135203 | 2015-04-10 | cif/ hkl/ Adding structures of 2019924, 2019925 via cif-deposit CGI script. |
2019925.cif 2019925.hkl |
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