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Information card for entry 2238191
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| Coordinates | 2238191.cif |
|---|---|
| Structure factors | 2238191.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[5-(4-fluorophenyl)pyridine-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl] -1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate |
|---|---|
| Formula | C28 H29 F N4 O4 |
| Calculated formula | C28 H29 F N4 O4 |
| SMILES | CCOC(=O)c1ccc2c(c1)nc(n2CCCN1CCCC1=O)c1cncc(c1)c1ccc(cc1)F.O |
| Title of publication | Ethyl 2-[5-(4-fluorophenyl)pyridin-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate |
| Authors of publication | Yeong, Keng Yoon; Ali, Mohamed Ashraf; Choon, Tan Soo; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1013 - o1014 |
| a | 16.064 ± 0.0015 Å |
| b | 7.6562 ± 0.0007 Å |
| c | 20.1991 ± 0.0019 Å |
| α | 90° |
| β | 98.163 ± 0.002° |
| γ | 90° |
| Cell volume | 2459.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
2238191.cif 2238191.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. |
2238191.cif 2238191.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. |
2238191.cif 2238191.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238191.cif 2238191.hkl |
| 87438 | 2013-08-27 | cif/ Adding structures of 2238191 via cif-deposit CGI script. |
2238191.cif |
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