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Information card for entry 2238153
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| Coordinates | 2238153.cif |
|---|---|
| Structure factors | 2238153.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Bromo-1,3-bis[(1,3-dioxolan-2-yl)methyl]-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one |
|---|---|
| Formula | C14 H16 Br N3 O5 |
| Calculated formula | C14 H16 Br N3 O5 |
| SMILES | Brc1cnc2c(c1)N(CC1OCCO1)C(=O)N2CC1OCCO1 |
| Title of publication | 6-Bromo-1,3-bis[(1,3-dioxolan-2-yl)methyl]-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one |
| Authors of publication | Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Essassi, El Mokhtar; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1029 - o1030 |
| a | 5.1144 ± 0.0001 Å |
| b | 17.8029 ± 0.0004 Å |
| c | 16.5365 ± 0.0005 Å |
| α | 90° |
| β | 97.009 ± 0.002° |
| γ | 90° |
| Cell volume | 1494.42 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/81. |
2238153.cif 2238153.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238153.cif 2238153.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238153.cif 2238153.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238153.cif 2238153.hkl |
| 87398 | 2013-08-27 | cif/ Adding structures of 2238153 via cif-deposit CGI script. |
2238153.cif |
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Users of the data should acknowledge the original authors of the
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