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Information card for entry 7238786
Preview
| Coordinates | 7238786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 Cl0 N3 O |
|---|---|
| Calculated formula | C14 H17 N3 O |
| Title of publication | Solvent-controlled, regio-switchable formation of 3-/5-arylaminopyrazole isomer in cyclocondensation of β-aminoenones with hydrazides: intermolecular hydrogen bonding plays a role |
| Authors of publication | Xiang, Dexuan; Bi, Xihe; Liao, Peiqiu; Fang, Guichun; Wang, Zikun; Xin, Xiaoqing; Dong, Dewen |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 386 |
| a | 9.012 ± 0.003 Å |
| b | 9.445 ± 0.002 Å |
| c | 15.967 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1359.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244351 (current) | 2019-11-28 | cif/ Adding structures of 7238785, 7238786 via cif-deposit CGI script. |
7238786.cif |
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