Information card for entry 2006272

Structure parameters

• Chemical name: 2-(2-thienylmethylidenehydrazino)quinoline
• Formula: C14 H11 N3 S
• Calculated formula: C14 H11 N3 S
• SMILES: c1csc(c1)/C=N/Nc1ccc2c(n1)cccc2
• 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: 11.188 ± 0.001 Å
• b: 4.746 ± 0.001 Å
• c: 23.012 ± 0.002 Å
• α: 90 ± 0.01°
• β: 92.05 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1221.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes