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Information card for entry 2229380
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| Coordinates | 2229380.cif |
|---|---|
| Structure factors | 2229380.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-6-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbonitrile |
|---|---|
| Formula | C10 H6 F3 N3 |
| Calculated formula | C10 H6 F3 N3 |
| SMILES | N#Cc1c(C)nc2n1cc(cc2)C(F)(F)F |
| Title of publication | 2-Methyl-6-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbonitrile |
| Authors of publication | Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Kumar, D. J. Madhu; Prasad, D. Jagadeesh; Nagaraja, G. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | o573 |
| a | 5.6871 ± 0.0003 Å |
| b | 8.5437 ± 0.0005 Å |
| c | 20.5403 ± 0.0013 Å |
| α | 90° |
| β | 96.653 ± 0.004° |
| γ | 90° |
| Cell volume | 991.31 ± 0.1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0857 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (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 2/22/93. |
2229380.cif 2229380.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. |
2229380.cif 2229380.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2229380.cif 2229380.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229380.cif 2229380.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. | 2229380.cif 2229380.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229380.cif 2229380.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229380.cif 2229380.hkl |
| 17428 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229380 via cif-deposit CGI script. |
2229380.cif |
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Users of the data should acknowledge the original authors of the
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