Information card for entry 7249635

Structure parameters

• Formula: C22 H15 Cl2 N3 S
• Calculated formula: C22 H15 Cl2 N3 S
• Title of publication: Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates
• Authors of publication: Nath, Jitendra; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 46 - 54
• a: 4.4462 ± 0.0003 Å
• b: 18.662 ± 0.0014 Å
• c: 22.7605 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1888.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No