Information card for entry 2242317

Structure parameters

• Chemical name: 4-(Pyrazin-2-yl)morpholine
• Formula: C8 H11 N3 O
• Calculated formula: C8 H11 N3 O
• SMILES: O1CCN(c2nccnc2)CC1
• Title of publication: Crystal structure of 4-(pyrazin-2-yl)morpholine
• Authors of publication: Bandaru, Siva Sankar Murthy; Kapdi, Anant Ramakant; Schulzke, Carola
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 137 - 140
• a: 17.069 ± 0.003 Å
• b: 5.9278 ± 0.0012 Å
• c: 7.8053 ± 0.0016 Å
• α: 90°
• β: 90.54 ± 0.03°
• γ: 90°
• Cell volume: 789.7 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No