Information card for entry 2014335

Structure parameters

• Chemical name: Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone
• Formula: C14 H19 N3 O S
• Calculated formula: C14 H19 N3 O S
• SMILES: S=C(N1CCCCCC1)N\N=C\c1c(O)cccc1
• Title of publication: Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone
• Authors of publication: Leji Latheef; E. Manoj; M. R. Prathapachandra Kurup
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o16 - o18
• a: 6.448 ± 0.0011 Å
• b: 14.099 ± 0.002 Å
• c: 15.924 ± 0.002 Å
• α: 90°
• β: 94.617 ± 0.012°
• γ: 90°
• Cell volume: 1443 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes