Information card for entry 2311818

Structure parameters

• Chemical name: 1-Benzoyl-2-[1-(4-chlorophenyl)benzylidene]hydrazone
• Formula: C20 H15 Cl N2 O
• Calculated formula: C20 H15 Cl N2 O
• SMILES: Clc1ccc(C(=N\NC(=O)c2ccccc2)\c2ccccc2)cc1
• Title of publication: Structural similarities among eight benzoylhydrazones.
• Authors of publication: Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 9
• Pages of publication: 912 - 919
• a: 19.432 ± 0.004 Å
• b: 8.933 ± 0.0018 Å
• c: 19.496 ± 0.004 Å
• α: 90°
• β: 102.18 ± 0.03°
• γ: 90°
• Cell volume: 3308.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No