Information card for entry 2100376

Structure parameters

• Chemical name: 2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridinium bromide
• 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 ų
• 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