Information card for entry 7151385

Structure parameters

• Chemical name: 3-Oxo-2H-2-[N-(methylphenylhydrazono)]benzothiophene
• Formula: C15 H12 N2 O S
• Calculated formula: C15 H12 N2 O S
• SMILES: S1C(=N\Nc2ccc(cc2)C)/C(=O)c2ccccc12
• Title of publication: An alternative synthesis of 2-(N-arylhydrazono)-1-benzothiophen-3-ones
• Authors of publication: Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M.; Boese, Roland
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 822
• a: 13.949 ± 0.005 Å
• b: 8.165 ± 0.003 Å
• c: 12.755 ± 0.005 Å
• α: 90°
• β: 117.15 ± 0.007°
• γ: 90°
• Cell volume: 1292.6 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1283
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No