Information card for entry 2311530

Structure parameters

• Chemical name: 2-[(1<i>E</i>)-({1-(3-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: Clc1cccc([C@H](/N=C/c2c(O)cccc2)[C@@H](/N=C/c2ccccc2O)C)c1
• 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: 12.8126 ± 0.0007 Å
• b: 7.0224 ± 0.0003 Å
• c: 12.8169 ± 0.0006 Å
• α: 90°
• β: 117.207 ± 0.003°
• γ: 90°
• Cell volume: 1025.61 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No