Information card for entry 2225486

Structure parameters

• Chemical name: 2-Methyl-3-(<i>n</i>-octylsulfanyl)quinoxaline
• Formula: C17 H24 N2 S
• Calculated formula: C17 H24 N2 S
• SMILES: S(c1nc2c(nc1C)cccc2)CCCCCCCC
• Title of publication: 2-Methyl-3-(<i>n</i>-octylsulfanyl)quinoxaline
• Authors of publication: Ramli, Youssef; Slimani, Rachid; Zouihri, Hafid; Lazar, Saïd; Essassi, E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o992
• a: 7.3514 ± 0.0003 Å
• b: 8.2978 ± 0.0003 Å
• c: 14.2168 ± 0.0005 Å
• α: 92.275 ± 0.002°
• β: 98.706 ± 0.002°
• γ: 103.81 ± 0.002°
• Cell volume: 829.86 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101 kPa
• 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: 0.1254
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes