Information card for entry 2244188

Structure parameters

• Chemical name: Dichloridobis(4-methylbenzamide-κ<i>O</i>)zinc(II)
• Formula: C16 H18 Cl2 N2 O2 Zn
• Calculated formula: C16 H18 Cl2 N2 O2 Zn
• SMILES: [Zn](Cl)(Cl)([O]=C(N)c1ccc(cc1)C)[O]=C(N)c1ccc(cc1)C
• Title of publication: Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride
• Authors of publication: Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• Pages of publication: 880 - 886
• a: 6.8376 ± 0.0004 Å
• b: 17.2694 ± 0.0009 Å
• c: 14.9856 ± 0.0007 Å
• α: 90°
• β: 96.893 ± 0.002°
• γ: 90°
• Cell volume: 1756.73 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 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: 0.0476
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes