Information card for entry 2233385

Structure parameters

• Chemical name: (<i>Z</i>)-2-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline
• Formula: C12 H10 N2 O3 S
• Calculated formula: C12 H10 N2 O3 S
• SMILES: s1c(N(=O)=O)ccc1/C=N/c1ccccc1OC
• Title of publication: (<i>Z</i>)-2-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline
• Authors of publication: Kan Kaynar, Nihal; Gümüs, Sümeyye; Ağar, Erbil; Büyükgüngör, Orhan; Yavuz, Metin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o393
• a: 6.6825 ± 0.0006 Å
• b: 7.7926 ± 0.0005 Å
• c: 23.718 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1235.09 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes