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Information card for entry 2228389
Preview
| Coordinates | 2228389.cif |
|---|---|
| Structure factors | 2228389.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 8-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridine-7-carboxylate |
|---|---|
| Formula | C16 H13 N3 O4 |
| Calculated formula | C16 H13 N3 O4 |
| SMILES | O=N(=O)c1ccc(c2c3n(ccn3)ccc2C(=O)OCC)cc1 |
| Title of publication | Ethyl 8-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridine-7-carboxylate |
| Authors of publication | Duan, Gui-Yun; Zhang, Yu-Juan; Hao, Ben-Qian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3272 |
| a | 8.189 ± 0.004 Å |
| b | 15.821 ± 0.008 Å |
| c | 11.884 ± 0.006 Å |
| α | 90° |
| β | 105.38 ± 0.008° |
| γ | 90° |
| Cell volume | 1484.5 ± 1.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0593 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.378 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228389.cif 2228389.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228389.cif 2228389.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228389.cif 2228389.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228389.cif 2228389.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228389.cif 2228389.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228389.cif 2228389.hkl |
| 5782 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228382, 2228383, 2228384, 2228385, 2228386, 2228387, 2228388, 2228389, 2228390, 2228391 via cif-deposit CGI script. |
2228389.cif |
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Users of the data should acknowledge the original authors of the
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