Information card for entry 2311531

Structure parameters

• Chemical name: 2-[(1<i>E</i>)-({1-(4-Chlorophenyl)-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol
• Formula: C23 H21 Cl N2 O2
• Calculated formula: C23 H21 Cl N2 O2
• SMILES: Clc1ccc([C@@H](/N=C/c2c(O)cccc2)[C@H](/N=C/c2ccccc2O)C)cc1.Clc1ccc([C@H](/N=C/c2c(O)cccc2)[C@@H](/N=C/c2ccccc2O)C)cc1
• Title of publication: Crystal structures of salen-type ligands 2-[(1<i>E</i>)-({1-(3-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1<i>E</i>)-({1-(4-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.
• Authors of publication: Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1878 - 1881
• a: 6.7923 ± 0.0002 Å
• b: 20.8261 ± 0.0008 Å
• c: 14.1744 ± 0.0006 Å
• α: 90°
• β: 92.435 ± 0.002°
• γ: 90°
• Cell volume: 2003.26 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No