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Information card for entry 8102392
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| Coordinates | 8102392.cif |
|---|---|
| External links | ChemSpider |
| Chemical name | 3-(4-Fluorophenyl)-1-(2-methylimidazo[1,2-<i>a</i>]pyridin-3-yl) prop-2-en-1-one |
|---|---|
| Formula | C17 H13 F N2 O |
| Calculated formula | C17 H13 F N2 O |
| SMILES | Fc1ccc(cc1)/C=C/C(=O)c1n2ccccc2nc1C |
| Title of publication | Crystal structure of 3-(4-fluorophenyl)-1-(2-methylimidazo-[1,2-a]-pyridin-3-yl)prop-2-en-1-one, C17H13FN2O |
| Authors of publication | Yvon Bibila Mayaya Bisseyou; Adjo Adohi-Krou; Mahamat Ouattara; Drissa Sissouma; Emma G. Zoro-Diama; N'dédé Ebby |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 1 |
| Pages of publication | 81 |
| a | 6.7597 ± 0.0002 Å |
| b | 28.4154 ± 0.0008 Å |
| c | 7.3112 ± 0.0002 Å |
| α | 90° |
| β | 106.472 ± 0.001° |
| γ | 90° |
| Cell volume | 1346.7 ± 0.07 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections | 0.1267 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102392.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102392.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102392.cif |
| 13131 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102392 via cif-deposit CGI script. |
8102392.cif |
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