Information card for entry 1544289

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide
• Formula: C16 H14 N8 O2
• Calculated formula: C16 H14 N8 O2
• SMILES: O=C(NCc1nccnc1)c1nccnc1C(=O)NCc1nccnc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide
• Authors of publication: Wang, Zhaodong; Yang, Yanshuang; Lin, Huanzhu
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161588
• a: 9.1166 ± 0.0018 Å
• b: 10.022 ± 0.002 Å
• c: 10.781 ± 0.002 Å
• α: 116.951 ± 0.002°
• β: 97.13 ± 0.002°
• γ: 102.195 ± 0.002°
• Cell volume: 830.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes