Information card for entry 2230055

Structure parameters

• Chemical name: 3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate
• Formula: C15 H16 Cl N3 O4
• Calculated formula: C15 H16 Cl N3 O4
• SMILES: n12ccccc1[nH+]cc2Nc1c(cccc1C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: 3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate
• Authors of publication: Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1224
• a: 8.6347 ± 0.0003 Å
• b: 8.7663 ± 0.0003 Å
• c: 11.5155 ± 0.0004 Å
• α: 70.668 ± 0.002°
• β: 73.131 ± 0.002°
• γ: 72.679 ± 0.002°
• Cell volume: 767.24 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes