Information card for entry 1544774

Structure parameters

• Chemical name: (3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one
• Formula: C16 H11 N3 O
• Calculated formula: C16 H11 N3 O
• SMILES: O=C1Nc2nc3ccccc3n2C\1=C/c1ccccc1
• Title of publication: (3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one
• Authors of publication: Rida, Mohammed; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x161908
• a: 6.6849 ± 0.0003 Å
• b: 8.9428 ± 0.0005 Å
• c: 10.7445 ± 0.0005 Å
• α: 103.935 ± 0.003°
• β: 95.015 ± 0.004°
• γ: 96.86 ± 0.003°
• Cell volume: 614.44 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes