Literature DB >> 35079431

Crystal structure and Hirshfeld surface analysis of 6,6'-((1E,1'E)-{[1,4-phenyl-enebis(methyl-ene)]bis(aza-nylyl-idene)}bis-(methane-ylyl-idene))bis-(2-meth-oxy-phenol).

Sevgi Kansiz1, Semanur Yesilbag2, Necmi Dege3, Eiad Saif4,5, Erbil Agar6.   

Abstract

The Schiff base compound, C24H24N2O4, was synthesized by the inter-action of 2-hy-droxy-3-meth-oxy benzaldehyde and 1,4-benzene dimethanamine in ethanol, and crystallizes in the monoclinic space group P21/n with Z' = 0.5. The mol-ecule is not planar, the 1,4-di-ethyl-benzene and the phenol rings are twisted with respect to each other, making a dihedral angle of 74.27 (5)°. The mol-ecular structure is stabilized by an O-H⋯N hydrogen bond, forming an S(6) ring motif. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, resulting in the formation of sheets parallel to the bc plane. A Hirshfeld surface analysis was undertaken to investigate the various inter-molecular contacts controlling the supra-molecular topology, suggesting the H⋯O (18%) contacts to be the most significant inter-actions, whereas the H⋯H (50.5%) and C⋯H (24.3%) inter-actions are less significant. © Kansiz et al. 2022.

Entities:  

Keywords:  Hirshfeld surface analysis; Schiff base; crystal structure; phenol–imine tautomer; tetra­dentate salen-type

Year:  2022        PMID: 35079431      PMCID: PMC8739199          DOI: 10.1107/S2056989021013347

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  6 in total

1.  1,4-Bis(3-pyridylmethyl-eneamino-meth-yl)benzene.

Authors:  Ming-Yang He; Chao Li; Huan Xu; Zhao-Jian Hu; Qun Chen
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-01-10

2.  1,4-Bis(2-pyridylmethyl-eneamino-meth-yl)benzene.

Authors:  Chao Li; Fu-An Sun; Ming-Yang He; Huan Xu; Qun Chen
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-01-10

3.  SHELXT - integrated space-group and crystal-structure determination.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A Found Adv       Date:  2015-01-01       Impact factor: 2.290

4.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

5.  The Cambridge Structural Database.

Authors:  Colin R Groom; Ian J Bruno; Matthew P Lightfoot; Suzanna C Ward
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2016-04-01
  6 in total
  1 in total

1.  Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-di-hydroanthracen-1-yl)-3-propano-ylthio-urea.

Authors:  Kenechukwu J Ifeanyieze; Bikimi B Ayiya; Obinna C Okpareke; Tatiana V Groutso; Jonnie N Asegbeloyin
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-03-29
  1 in total

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