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Information card for entry 2241534
Preview
| Coordinates | 2241534.cif |
|---|---|
| Structure factors | 2241534.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 3-{5-[3-(4-Fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]-1<i>H</i>-pyrazol-1-yl}indolin-2-one ethanol monosolvate |
|---|---|
| Formula | C30 H29 F N4 O2 |
| Calculated formula | C30 H29 F N4 O2 |
| Title of publication | Crystal structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]-1<i>H</i>-pyrazol-1-yl}indolin-2-one ethanol monosolvate |
| Authors of publication | Rahman, Md. Lutfor; Kulkarni, Ajaykumar D.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 283 - 286 |
| a | 9.9754 ± 0.0008 Å |
| b | 10.2139 ± 0.0008 Å |
| c | 14.0294 ± 0.0011 Å |
| α | 75.7386 ± 0.0015° |
| β | 71.0062 ± 0.0014° |
| γ | 83.1264 ± 0.0014° |
| Cell volume | 1308.73 ± 0.18 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241534.cif 2241534.hkl |
| 181916 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241534.cif 2241534.hkl |
| 175689 | 2016-02-04 | cif/ hkl/ Adding structures of 2241534 via cif-deposit CGI script. |
2241534.cif 2241534.hkl |
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Users of the data should acknowledge the original authors of the
structural data.