Information card for entry 2231435

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine
• Formula: C14 H16 N2 S2
• Calculated formula: C14 H16 N2 S2
• SMILES: CC(=N\CC/N=C(/c1cccs1)C)/c1cccs1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2465
• a: 5.5831 ± 0.0003 Å
• b: 9.3939 ± 0.0004 Å
• c: 12.9202 ± 0.0005 Å
• α: 90°
• β: 95.342 ± 0.004°
• γ: 90°
• Cell volume: 674.68 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes