Information card for entry 2242812

Structure parameters

• Chemical name: (1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine]
• Formula: C21 H17 Cl2 N3
• Calculated formula: C21 H17 Cl2 N3
• SMILES: c1(ccc(cc1)/N=C(C)/c1cccc(C(=N\c2ccc(cc2)Cl)\C)n1)Cl
• Title of publication: Crystal structure of a new 2,6-bis(imino)pyridine derivative: (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine]
• Authors of publication: Rajesh, Rajagopal; Sella, E. S.; Blacque, Olivier; Rajesh, Kunjanpillai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 115 - 118
• a: 10.5375 ± 0.0002 Å
• b: 10.8479 ± 0.0002 Å
• c: 16.8936 ± 0.0003 Å
• α: 82.261 ± 0.002°
• β: 88.543 ± 0.001°
• γ: 84.93 ± 0.002°
• Cell volume: 1905.85 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes