Information card for entry 2005387

Structure parameters

• Chemical name: 6-methyl-2-(4-methylphenyl)-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.
• Formula: C19 H14 F3 N3
• Calculated formula: C19 H14 F3 N3
• SMILES: n1c2n(c3nc(cc(c3cc2)C)C(F)(F)F)cc1c1ccc(cc1)C
• Title of publication: Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2231 - 2236
• a: 9.092 ± 0.001 Å
• b: 9.849 ± 0.001 Å
• c: 10.428 ± 0.001 Å
• α: 68.9 ± 0.01°
• β: 69.39 ± 0.01°
• γ: 72.67 ± 0.01°
• Cell volume: 799.62 ± 0.16 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: 0.0628
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1446
• Weighted residual factors for significantly intense reflections: 0.1352
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No