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Crystal structure of 2-{[(E)-(4-anilinophen-yl)iminium-yl]meth-yl}-5-(di-ethyl-amino)-phenolate.

ABSTRACT: The title compound, C23H25N3O, crystallized with one single mol-ecule in the asymmetric unit and is present in the zwitterionic form. There is an intra-molecular N-H?O hydrogen bond in the mol-ecule with the phenol ring being inclined to the central benzene ring by 20.67?(14)°. The terminal amino-phenyl ring forms a dihedral angle of 54.21?(14)° with the central benzene ring. The two outer aromatic rings are inclined to one another by 74.54?(14)°. In the crystal, the mol-ecules are connected by N-H?O hydrogen bonds, with adjacent molecules related by a 21 screw axis, generating -A-B-A-B- zigzag chains extending along [010]. The chains are linked via C-H?? and ?-? inter-actions [with a centroid-centroid distance of 3.444?(3)?Å] between the benzene ring and the imino group of symmetry-related mol-ecules, forming slabs lying parallel to (100).

SUBMITTER: Faizi MS

PROVIDER: S-EPMC4719807 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of 2-{[(E)-(4-anilinophen-yl)iminium-yl]meth-yl}-5-(di-ethyl-amino)-phenolate.

Faizi Md Serajul Haque MS Ohui Kateryna A KA Golenya Irina A IA

Acta crystallographica. Section E, Crystallographic communications 20151104 Pt 12

The title compound, C23H25N3O, crystallized with one single mol-ecule in the asymmetric unit and is present in the zwitterionic form. There is an intra-molecular N-H⋯O hydrogen bond in the mol-ecule with the phenol ring being inclined to the central benzene ring by 20.67 (14)°. The terminal amino-phenyl ring forms a dihedral angle of 54.21 (14)° with the central benzene ring. The two outer aromatic rings are inclined to one another by 74.54 (14)°. In the crystal, the mol-ecules are connected by ...[more]

PMID: 26870398

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