Information card for entry 2006273

Structure parameters

• Chemical name: 2-(methyl(2-thienyl)methylidenehydrazino)quinoline
• Formula: C15 H13 N3 S
• Calculated formula: C15 H13 N3 S
• SMILES: CC(=N\Nc1ccc2c(n1)cccc2)/c1cccs1
• Title of publication: Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline
• Authors of publication: Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 973 - 979
• a: 9.8543 ± 0.0007 Å
• b: 9.854 ± 0.002 Å
• c: 28.457 ± 0.004 Å
• α: 90 ± 0.01°
• β: 90 ± 0.009°
• γ: 90 ± 0.009°
• Cell volume: 2763.3 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 41n 2abw
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes