Information card for entry 2228866

Structure parameters

• Chemical name: 5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-1<i>H</i>-1,3-benzimidazole- 2(3<i>H</i>)-thione
• Formula: C14 H11 N3 O S
• Calculated formula: C14 H11 N3 O S
• SMILES: S=C1Nc2c(N1)cc(/N=C/c1ccccc1O)cc2
• Title of publication: 5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-thione
• Authors of publication: Tabassum, Zishan; Sulaiman, Othman; Afzal, Mohd.; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o144 - o145
• a: 8.268 ± 0.0002 Å
• b: 28.1043 ± 0.0006 Å
• c: 10.5047 ± 0.0002 Å
• α: 90°
• β: 92.234 ± 0.001°
• γ: 90°
• Cell volume: 2439.08 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes