Information card for entry 2006274

Structure parameters

• Chemical name: 2-(5-bromothien-2-ylmethylidenehydrazono)quinoline
• Formula: C14 H10 Br N3 S
• Calculated formula: C14 H10 Br N3 S
• 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: 9.585 ± 0.0007 Å
• b: 9.585 ± 0.001 Å
• c: 29.939 ± 0.004 Å
• α: 90 ± 0.01°
• β: 90 ± 0.008°
• γ: 90 ± 0.008°
• Cell volume: 2750.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 43n 2nw
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes