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Information card for entry 2240128
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| Coordinates | 2240128.cif |
|---|---|
| Structure factors | 2240128.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5-Methylimidazo[1,2-<i>a</i>]pyridin-2-yl)methanol |
|---|---|
| Formula | C9 H10 N2 O |
| Calculated formula | C9 H10 N2 O |
| SMILES | c12cccc(C)n2cc(CO)n1 |
| Title of publication | Crystal structure of (5-methylimidazo[1,2-<i>a</i>]pyridin-2-yl)methanol |
| Authors of publication | Elaatiaoui, Abdelmalik; Koudad, Mohammed; Saddik, Rafik; Benchat, Noureddine; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1189 - o1190 |
| a | 7.3637 ± 0.0002 Å |
| b | 8.1589 ± 0.0002 Å |
| c | 8.3966 ± 0.0002 Å |
| α | 62.355 ± 0.001° |
| β | 67.291 ± 0.002° |
| γ | 88.386 ± 0.002° |
| Cell volume | 405.14 ± 0.02 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240128.cif 2240128.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240128.cif 2240128.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2240128.cif 2240128.hkl |
| 125908 | 2014-10-26 | cif/ hkl/ Adding structures of 2240128 via cif-deposit CGI script. |
2240128.cif 2240128.hkl |
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Users of the data should acknowledge the original authors of the
structural data.