Information card for entry 2006275

Structure parameters

• Chemical name: 2-(5-chlorothien-2-ylmethylidenehydrazino)quinoline
• Formula: C14 H10 Cl N3 S
• Calculated formula: C14 H10 Cl N3 S
• SMILES: Clc1ccc(s1)/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: 4.6689 ± 0.0008 Å
• b: 11.603 ± 0.001 Å
• c: 23.744 ± 0.002 Å
• α: 90 ± 0.008°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1286.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes