Information card for entry 2204199

Structure parameters

• Common name: naphthimidazole
• Chemical name: 1H‒napth[2,3-d]imidazole
• Formula: C11 H8 N2
• Calculated formula: C11 H8 N2
• SMILES: [nH]1c2c(nc1)cc1ccccc1c2
• Title of publication: Hydrogen bonding in 1<i>H</i>-naphth[2,3-<i>d</i>]imidazole
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1648 - o1651
• a: 9.4503 ± 0.0006 Å
• b: 16.3882 ± 0.0008 Å
• c: 11.477 ± 0.0009 Å
• α: 90°
• β: 110.502 ± 0.004°
• γ: 90°
• Cell volume: 1664.9 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes