Information card for entry 2214098

Structure parameters

• Chemical name: Bis{4-[(5-methylthien-2-yl)methyleneamino]phenyl} sulfide
• Formula: C24 H20 N2 S3
• Calculated formula: C24 H20 N2 S3
• SMILES: Cc1ccc(/C=N/c2ccc(cc2)Sc2ccc(cc2)/N=C/c2ccc(C)s2)s1
• Title of publication: Bis{4-[(5-methylthien-2-yl)methyleneamino]phenyl} sulfide
• Authors of publication: Zheng, Yun-Fa; Wang, Liang-Gui; Zhang, Chun-Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3307 - o3307
• a: 5.315 ± 0.003 Å
• b: 14.275 ± 0.004 Å
• c: 15.106 ± 0.003 Å
• α: 72.828 ± 0.003°
• β: 88.344 ± 0.004°
• γ: 83.314 ± 0.004°
• Cell volume: 1087.6 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes