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Information card for entry 2100376
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Coordinates | 2100376.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridinium bromide |
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Formula | C7 H7 Br N2 O |
Calculated formula | C7 H7 Br N2 O |
SMILES | [Br-].[n+]12c(cccc1)NC(=O)C2 |
Title of publication | Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP |
Authors of publication | Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 1 |
Pages of publication | 135 - 142 |
a | 7.269 ± 0.001 Å |
b | 7.709 ± 0.002 Å |
c | 8.403 ± 0.002 Å |
α | 67.01 ± 0.03° |
β | 68.03 ± 0.03° |
γ | 72 ± 0.03° |
Cell volume | 394.61 ± 0.19 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0196 |
Weighted residual factors for significantly intense reflections | 0.0487 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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