Information card for entry 1556897

Structure parameters

• Chemical name: (<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine
• Formula: C12 H10 N2 O2 S
• Calculated formula: C12 H10 N2 O2 S
• SMILES: Cc1ccc(/C=N/c2ccc(cc2)N(=O)=O)s1
• Title of publication: (<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine
• Authors of publication: Alicea-Velázquez, Nilda L.; Crundwell, Guy
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191601
• a: 13.5979 ± 0.0007 Å
• b: 7.3148 ± 0.0003 Å
• c: 12.5931 ± 0.0006 Å
• α: 90°
• β: 112.763 ± 0.005°
• γ: 90°
• Cell volume: 1155.02 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes