Information card for entry 2021682

Structure parameters

• Chemical name: Dichlorido{2-[2-(pyridin-2-yl)oxazolidin-3-yl]-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine}cadmium(II)
• Formula: C16 H18 Cd Cl2 N4 O
• Calculated formula: C16 H18 Cd Cl2 N4 O
• SMILES: [Cd]123(Cl)(Cl)[n]4c(C=[N]3CC[N]31C(OCC3)c1cccc[n]21)cccc4
• Title of publication: Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies
• Authors of publication: Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• a: 14.0924 ± 0.0003 Å
• b: 7.7111 ± 0.0002 Å
• c: 15.5819 ± 0.0004 Å
• α: 90°
• β: 90.317 ± 0.003°
• γ: 90°
• Cell volume: 1693.23 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.032
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes