Information card for entry 2240765

Structure parameters

• Chemical name: 2-{[(5-Nitrothiophen-2-yl)methylidene]amino}phenol
• Formula: C11 H8 N2 O3 S
• Calculated formula: C11 H8 N2 O3 S
• SMILES: s1c(N(=O)=O)ccc1/C=N/c1ccccc1O
• Title of publication: Crystal structure of 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol
• Authors of publication: Koçak, Figen; Tanak, Hasan; Ağar, Erbil; Doğan, Onur Erman; Özdemir, Namık
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o418
• a: 10.642 ± 0.005 Å
• b: 7.043 ± 0.005 Å
• c: 14.535 ± 0.005 Å
• α: 90°
• β: 93.566 ± 0.005°
• γ: 90°
• Cell volume: 1087.3 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes