Information card for entry 7220897

Structure parameters

• Common name: IPHAT 2
• Chemical name: 5-(4-chlorobenzoyl)-4-isopropylidenehydrazino-2-phenylaminothiazole
• Formula: C19 H19 Cl N4 O2 S
• Calculated formula: C19 H19 Cl 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: 14.858 ± 0.0005 Å
• b: 4.854 ± 0.0001 Å
• c: 26.819 ± 0.0008 Å
• α: 90°
• β: 90.237 ± 0.001°
• γ: 90°
• Cell volume: 1934.19 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No