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Information card for entry 2020571
Preview
| Coordinates | 2020571.cif |
|---|---|
| Structure factors | 2020571.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(2-Chlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide |
|---|---|
| Formula | C19 H18 Cl N3 O2 |
| Calculated formula | C19 H18 Cl N3 O2 |
| Title of publication | Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions |
| Authors of publication | Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 9 |
| a | 23.023 ± 0.003 Å |
| b | 8.2976 ± 0.001 Å |
| c | 21.602 ± 0.003 Å |
| α | 90° |
| β | 120.957 ± 0.014° |
| γ | 90° |
| Cell volume | 3538.9 ± 1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0684 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185969 (current) | 2016-08-24 | cif/ hkl/ Adding structures of 2020570, 2020571 via cif-deposit CGI script. |
2020571.cif 2020571.hkl |
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Users of the data should acknowledge the original authors of the
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