Information card for entry 2008869

Structure parameters

• Chemical name: 2,2'-Bi-2-imidazoline
• Formula: C6 H10 N4
• Calculated formula: C6 H10 N4
• SMILES: C1CN=C(N1)C1=NCCN1
• Title of publication: 2,2'-Bi-2-imidazoline
• Authors of publication: Brennan, Conor J.; McKee, Vickie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1492 - 1494
• a: 5.152 ± 0.0005 Å
• b: 10.472 ± 0.0011 Å
• c: 6.3709 ± 0.0007 Å
• α: 90°
• β: 105.659 ± 0.002°
• γ: 90°
• Cell volume: 330.96 ± 0.06 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes