Information card for entry 2216372

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-thienylmethylene)ethane-1,2-diamine
• Formula: C12 H12 N2 S2
• Calculated formula: C12 H12 N2 S2
• SMILES: s1c(/C=N/CC/N=C/c2sccc2)ccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-thienylmethylene)ethane-1,2-diamine
• Authors of publication: Da-Qi Wang; Qiang Wang; Li-Jun Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4865 - o4865
• a: 6.4822 ± 0.0008 Å
• b: 7.4181 ± 0.001 Å
• c: 13.1433 ± 0.0015 Å
• α: 90°
• β: 101.425 ± 0.002°
• γ: 90°
• Cell volume: 619.48 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes