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Crystal structure of (2E,4E)-5-[bis-(2-hy-droxy-eth-yl)amino]-1-(4-chloro-phen-yl)-5-phenyl-penta-2,4-dien-1-one.


ABSTRACT: In the title compound, C21H22ClNO3, the penta-diene unit is nearly planar [maximum deviation = 0.023?(1)?Å], but the carbonyl O atom deviates significantly [by 0.304?(1)?Å] from its mean plane, which is twisted with respect to the phenyl and chloro-benzene rings by 71.34?(13) and 46.40?(13)°, respectively. In the crystal, inversion-related molecules are linked by two pairs of O-H?O hydrogen bonds, forming chains propagating along [01-1], enclosing R (2) 2(16) and R (2) 2(22) ring motifs. The chains are linked via C-H?O hydrogen bonds and C-H?? inter-actions into a three-dimensional supra-molecular architecture.

SUBMITTER: Golovanov AA 

PROVIDER: S-EPMC4645000 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of (2E,4E)-5-[bis-(2-hy-droxy-eth-yl)amino]-1-(4-chloro-phen-yl)-5-phenyl-penta-2,4-dien-1-one.

Golovanov Alexander A AA   Vologzhanina Anna V AV   Odin Ivan S IS   Tret'yakova Tat'yana P TP   Naumov Sergey V SV  

Acta crystallographica. Section E, Crystallographic communications 20151024 Pt 11


In the title compound, C21H22ClNO3, the penta-diene unit is nearly planar [maximum deviation = 0.023 (1) Å], but the carbonyl O atom deviates significantly [by 0.304 (1) Å] from its mean plane, which is twisted with respect to the phenyl and chloro-benzene rings by 71.34 (13) and 46.40 (13)°, respectively. In the crystal, inversion-related molecules are linked by two pairs of O-H⋯O hydrogen bonds, forming chains propagating along [01-1], enclosing R (2) 2(16) and R (2) 2(22) ring motifs. The cha  ...[more]

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