Information card for entry 2236006

Structure parameters

• Chemical name: (<i>Z</i>)-2-[(<i>E</i>)-2-(1-Benzothiophen-3-ylmethylidene)hydrazin-1- ylidene]-1,2-diphenylethanone
• Formula: C23 H16 N2 O S
• Calculated formula: C23 H16 N2 O S
• SMILES: c1ccccc1/C(C(=O)c1ccccc1)=N/N=C/c1csc2c1cccc2
• Title of publication: (<i>Z</i>)-2-[(<i>E</i>)-2-(1-Benzothiophen-3-ylmethylidene)hydrazin-1-ylidene]-1,2-diphenylethanone
• Authors of publication: Pekdemir, Merve; Işık, Şamil; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2579 - o2580
• a: 17.1009 ± 0.0007 Å
• b: 8.77 ± 0.0004 Å
• c: 13.117 ± 0.0006 Å
• α: 90°
• β: 103.898 ± 0.004°
• γ: 90°
• Cell volume: 1909.63 ± 0.15 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: 0.0861
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes