Information card for entry 2022701

Structure parameters

• Chemical name: 2-Imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine
• Formula: C4 H7 N3
• Calculated formula: C4 H7 N3
• 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: 5.9577 ± 0.0004 Å
• b: 6.7494 ± 0.0005 Å
• c: 6.8249 ± 0.0005 Å
• α: 101.641 ± 0.004°
• β: 104.225 ± 0.006°
• γ: 111.425 ± 0.004°
• Cell volume: 234.36 ± 0.03 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes