Information card for entry 2212958

Structure parameters

• Chemical name: 1-Methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridinium perchlorate
• Formula: C14 H12 Cl N3 O6
• Calculated formula: C14 H12 Cl N3 O6
• SMILES: n1(c(c[n+]2ccccc12)c1ccc(cc1)N(=O)=O)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: 1-Methyl-2-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridinium perchlorate: a powder study
• Authors of publication: Rybakov, Victor B.; Babaev, Eugene V.; Sonneveld, Eduard J.; Zhukov, Sergei G.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1861 - o1863
• a: 31.393 ± 0.018 Å
• b: 25.527 ± 0.017 Å
• c: 7.8 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6251 ± 7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 2.105
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No