Information card for entry 2238420

Structure parameters

• Chemical name: 3,4-Dimethylthieno[2,3-<i>b</i>]thiophene-2,5-dicarbonitrile
• Formula: C10 H6 N2 S2
• Calculated formula: C10 H6 N2 S2
• SMILES: N#Cc1sc2c(c1C)c(c(s2)C#N)C
• Title of publication: 3,4-Dimethylthieno[2,3-<i>b</i>]thiophene-2,5-dicarbonitrile
• Authors of publication: Mabkhot, Yahia Nasser; Al-Showiman, S. S.; Barakat, Assem; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1272
• a: 7.2573 ± 0.0011 Å
• b: 10.1538 ± 0.0015 Å
• c: 13.665 ± 0.002 Å
• α: 94.467 ± 0.003°
• β: 99.12 ± 0.004°
• γ: 95.85 ± 0.004°
• Cell volume: 984.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes