Information card for entry 2233384

Structure parameters

• Chemical name: (<i>E</i>)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene
• Formula: C16 H12 N2 O2 S
• Calculated formula: C16 H12 N2 O2 S
• SMILES: c12ccccc1c(/C=N/c1ccc(cc1C)N(=O)=O)cs2
• Title of publication: (<i>E</i>)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene
• Authors of publication: Inaç, Hasan; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o361
• a: 7.6224 ± 0.0004 Å
• b: 7.9139 ± 0.0004 Å
• c: 11.7536 ± 0.0005 Å
• α: 90°
• β: 91.341 ± 0.004°
• γ: 90°
• Cell volume: 708.82 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes