Information card for entry 2206668

Structure parameters

• Chemical name: 1-Dimethylamminiomethyl-6,8-dimethyl-2-phenyl-1,2- dihydroimidazo[1,2-a][1,8]naphthyridine picrate monohydrate
• Formula: C27 H27 N7 O8
• Calculated formula: C27 H27 N7 O8
• SMILES: [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.n1c2n(c3nc(cc(c3cc2)C)C)c(c1c1ccccc1)C[NH+](C)C.O
• Title of publication: 1-Dimethylammoniomethyl-6,8-dimethyl-2-phenyl-1,2-dihydroimidazo[1,2-<i>a</i>][1,8]naphthyridine picrate monohydrate
• Authors of publication: Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2910 - o2912
• a: 7.1449 ± 0.0008 Å
• b: 12.1932 ± 0.0007 Å
• c: 15.79 ± 0.002 Å
• α: 102.435 ± 0.004°
• β: 98.938 ± 0.006°
• γ: 92.123 ± 0.005°
• Cell volume: 1323.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes