Information card for entry 2235997

Structure parameters

• Chemical name: 2,2'-Bithiophene-3,3'-dicarbonitrile
• Formula: C10 H4 N2 S2
• Calculated formula: C10 H4 N2 S2
• SMILES: N#Cc1ccsc1c1sccc1C#N
• Title of publication: 2,2'-Bithiophene-3,3'-dicarbonitrile
• Authors of publication: Novina, J. Josephine; Vasuki, G.; Karthik, Durai; Thomas, K. R. Justin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2542
• a: 3.9084 ± 0.0001 Å
• b: 9.8832 ± 0.0004 Å
• c: 12.0091 ± 0.0005 Å
• α: 90°
• β: 93.9 ± 0.002°
• γ: 90°
• Cell volume: 462.81 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes