Information card for entry 7249628

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: 3.968 ± 0.002 Å
• b: 19.46 ± 0.011 Å
• c: 25.084 ± 0.013 Å
• α: 90°
• β: 91.79 ± 0.02°
• γ: 90°
• Cell volume: 1936 ± 1.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 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: 0.1621
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No