Information card for entry 4071641

Structure parameters

• Formula: C15 H13 N3
• Calculated formula: C15 H13 N3
• SMILES: n1c(n(c2c1cccc2)c1ncccc1)/C=C/C
• Title of publication: Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol
• Authors of publication: Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2176
• a: 7.7568 ± 0.0002 Å
• b: 8.2139 ± 0.0002 Å
• c: 11.3653 ± 0.0002 Å
• α: 75.732 ± 0.019°
• β: 78.83 ± 0.02°
• γ: 62.01 ± 0.017°
• Cell volume: 617.12 ± 0.11 ų
• Cell temperature: 193.1 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 significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No