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Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl-phenyl-imino)-meth-yl]phenol.

ABSTRACT: The title Schiff base compound, C22H28ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intra-molecular O-H⋯N hydrogen bond present forming an S(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯π inter-actions, generating a three-dimensional supra-molecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (68.9%) and C⋯H/H⋯C (11.7%) inter-actions.

SUBMITTER: Kansiz S 

PROVIDER: S-EPMC6281108 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methyl-phenyl-imino)-meth-yl]phenol.

Kansiz Sevgi S   Macit Mustafa M   Dege Necmi N   Pavlenko Vadim A VA  

Acta crystallographica. Section E, Crystallographic communications 20181130 Pt 12

The title Schiff base compound, C<sub>22</sub>H<sub>28</sub>ClNO, shows mirror symmetry with all its non-H atoms, except the <i>tert</i>-butyl groups, located on the mirror plane. There is an intra-molecular O-H⋯N hydrogen bond present forming an <i>S</i>(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯π inter-actions, generating a three-dimensional supra-molecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the inter-molecu  ...[more]

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