Information card for entry 7249306

Structure parameters

• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• Title of publication: Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence
• Authors of publication: Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.8835 ± 0.0011 Å
• b: 8.8835 ± 0.0011 Å
• c: 14.4 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No