Information card for entry 2223978

Structure parameters

• Chemical name: 2,2'-Bis(methylene)-3,3'-(2-thioxo-2,3-dihydro-1<i>H</i>-benzimidazole- 1,3-diyl)dipropanenitrile
• Formula: C15 H12 N4 S
• Calculated formula: C15 H12 N4 S
• SMILES: S=C1N(c2c(N1CC(=C)C#N)cccc2)CC(=C)C#N
• Title of publication: 2,2'-Bis(methylene)-3,3'-(2-thioxo-2,3-dihydro-1<i>H</i>-benzimidazole-1,3-diyl)dipropanenitrile
• Authors of publication: Mohamed, Ould M'hamed; M'rabet, Hedi; Hemissi, Hanene; El Efrit, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2947
• a: 8.6274 ± 0.0003 Å
• b: 9.8271 ± 0.0002 Å
• c: 9.8271 ± 0.0002 Å
• α: 70.553 ± 0.002°
• β: 89.73 ± 0.002°
• γ: 67.853 ± 0.003°
• Cell volume: 720.67 ± 0.04 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: 0.058
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes