Information card for entry 2242931

Structure parameters

• Chemical name: <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide
• Formula: C14 H10 N4 O
• Calculated formula: C14 H10 N4 O
• SMILES: O=C(Nc1cccc2cccnc12)c1nccnc1
• Title of publication: The crystal structures of the ligand <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex
• Authors of publication: Cati, Dilovan S.; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 755 - 761
• a: 11.5047 ± 0.0009 Å
• b: 23.41 ± 0.003 Å
• c: 13.4115 ± 0.0011 Å
• α: 90°
• β: 104.305 ± 0.008°
• γ: 90°
• Cell volume: 3500.1 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes