Information card for entry 2225250

Structure parameters

• Common name: 2,7-bis(trichloromethyl)-1,8-naphthyridine
• Chemical name: 2,7-Bis(trichloromethyl)-1,8-naphthyridine
• Formula: C10 H4 Cl6 N2
• Calculated formula: C10 H4 Cl6 N2
• SMILES: ClC(c1ccc2c(n1)nc(cc2)C(Cl)(Cl)Cl)(Cl)Cl
• Title of publication: 2,7-Bis(trichloromethyl)-1,8-naphthyridine
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Maity, Annada C.; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o622
• a: 19.9154 ± 0.0004 Å
• b: 6.5977 ± 0.0001 Å
• c: 10.5975 ± 0.0002 Å
• α: 90°
• β: 111.483 ± 0.002°
• γ: 90°
• Cell volume: 1295.73 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes