Information card for entry 2022704

Structure parameters

• Chemical name: 6-Imino-3,4,5,6-tetrahydropyridin-2-amine methanol monosolvate
• Formula: C6 H13 N3 O
• Calculated formula: C6 H13 N3 O
• Title of publication: Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
• Authors of publication: Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 133 - 141
• a: 9.4887 ± 0.0009 Å
• b: 14.5341 ± 0.0011 Å
• c: 12.2828 ± 0.001 Å
• α: 90°
• β: 111.32 ± 0.008°
• γ: 90°
• Cell volume: 1578 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0432
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes