Information card for entry 7220896

Structure parameters

• Formula: C19 H20 N4 O2 S
• Calculated formula: C19 H20 N4 O2 S
• Title of publication: Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles
• Authors of publication: Titus, Sarah; Sreejalekshmi, Kumaran G.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 5978
• a: 14.45 ± 0.005 Å
• b: 4.956 ± 0.005 Å
• c: 26.73 ± 0.005 Å
• α: 90°
• β: 96.301 ± 0.005°
• γ: 90°
• Cell volume: 1903 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No