Information card for entry 2237687

Structure parameters

• Chemical name: 1,4-Bis(3-chloropyrazin-2-yloxy)benzene
• Formula: C14 H8 Cl2 N4 O2
• Calculated formula: C14 H8 Cl2 N4 O2
• SMILES: c1(c(Oc2ccc(cc2)Oc2c(Cl)nccn2)nccn1)Cl
• Title of publication: 1,4-Bis(3-chloropyrazin-2-yloxy)benzene
• Authors of publication: Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o611
• a: 11.083 ± 0.002 Å
• b: 10.0452 ± 0.0017 Å
• c: 12.846 ± 0.002 Å
• α: 90°
• β: 105.681 ± 0.006°
• γ: 90°
• Cell volume: 1376.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes