Information card for entry 2012596

Structure parameters

• Common name: Magnet-5
• Chemical name: dispiro [2H-benzimidazole-2,1'-cyclohexane-4',2''-[2H]benzimidazole] ,1,1''-dioxide
• Formula: C18 H16 N4 O2
• Calculated formula: C18 H16 N4 O2
• SMILES: C1C2(CCC3(C1)N(=C1C=CC=CC1=N3)=O)N(=O)=C1C=CC=CC1=N2
• Title of publication: Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide
• Authors of publication: Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o183 - o186
• a: 5.416 ± 0.002 Å
• b: 7.29 ± 0.002 Å
• c: 10.426 ± 0.003 Å
• α: 104.39 ± 0.03°
• β: 104.15 ± 0.03°
• γ: 98.41 ± 0.03°
• Cell volume: 377.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes