Information card for entry 2237924

Structure parameters

• Chemical name: 1,3-Bis[(3-chloropyrazin-2-yl)oxy]benzene
• Formula: C14 H8 Cl2 N4 O2
• Calculated formula: C14 H8 Cl2 N4 O2
• SMILES: Clc1nccnc1Oc1cccc(c1)Oc1nccnc1Cl
• Title of publication: 1,3-Bis[(3-chloropyrazin-2-yl)oxy]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: 5
• Pages of publication: o815
• a: 9.9618 ± 0.0003 Å
• b: 10.2196 ± 0.0004 Å
• c: 14.601 ± 0.0006 Å
• α: 90°
• β: 106.231 ± 0.002°
• γ: 90°
• Cell volume: 1427.22 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1128
• 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