Information card for entry 2223125

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-thienylmethylene)benzene-1,4-diamine
• Formula: C16 H12 N2 S2
• Calculated formula: C16 H12 N2 S2
• SMILES: c1csc(c1)/C=N/c1ccc(cc1)/N=C/c1cccs1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-thienylmethylene)benzene-1,4-diamine
• Authors of publication: Dong, Nai-Wei; Jia, Dong-Xue; Gan, Chun-Li; Zhou, Dong-Mei; Liu, Feng-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2190
• a: 6.1882 ± 0.0007 Å
• b: 7.2371 ± 0.0009 Å
• c: 16.375 ± 0.002 Å
• α: 90°
• β: 95.86 ± 0.002°
• γ: 90°
• Cell volume: 729.52 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes