Information card for entry 7249307

Structure parameters

• Formula: C14 H9 N3
• Calculated formula: C14 H9 N3
• 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: 7.2378 ± 0.001 Å
• b: 11.8288 ± 0.0014 Å
• c: 12.7296 ± 0.0017 Å
• α: 90°
• β: 92.175 ± 0.005°
• γ: 90°
• Cell volume: 1089.1 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0455
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No