Information card for entry 2236738

Structure parameters

• Chemical name: <i>N</i>-(2-Phenoxyphenyl)pyrazine-2-carboxamide
• Formula: C17 H13 N3 O2
• Calculated formula: C17 H13 N3 O2
• SMILES: c1cncc(C(=O)Nc2c(cccc2)Oc2ccccc2)n1
• Title of publication: <i>N</i>-(2-Phenoxyphenyl)pyrazine-2-carboxamide
• Authors of publication: Noroozi Tisseh, Mehri; Kargar Razi, Maryam; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3161
• a: 5.0913 ± 0.001 Å
• b: 11.769 ± 0.002 Å
• c: 12.268 ± 0.003 Å
• α: 91.058 ± 0.016°
• β: 94.541 ± 0.016°
• γ: 101.648 ± 0.015°
• Cell volume: 717.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes