Information card for entry 2217194

Structure parameters

• Common name: N-(benzimidazole)-1,8-naphthalimide
• Chemical name: 6-Oxobenz[de]isoquinolino[2,1-a]benzimidazolium chloride monohydrate
• Formula: C18 H13 Cl N2 O2
• Calculated formula: C18 H13 Cl N2 O2
• SMILES: O=C1n2c3c([nH+]c2c2cccc4cccc1c24)cccc3.[Cl-].O
• Title of publication: 6-Oxobenz[<i>de</i>]isoquinolino[2,1-<i>a</i>]benzimidazolium chloride monohydrate
• Authors of publication: Fang-Fang Jian; Li Du; Jing Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o7 - o7
• a: 8.9 ± 0.0018 Å
• b: 8.944 ± 0.0018 Å
• c: 9.448 ± 0.0019 Å
• α: 81.5 ± 0.03°
• β: 88.76 ± 0.03°
• γ: 77.61 ± 0.03°
• Cell volume: 726.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes