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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 AA, Vologzhanina AV, Odin IS, Tret'yakova TP, Naumov SV - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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⋯π inter-actions into a three-dimensional supra-molecular architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Chemical Processes and Techologies, Togliatti State University, 445667 Togliatti, Russian Federation.

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⋯π inter-actions into a three-dimensional supra-molecular architecture.

No MeSH data available.


Related in: MedlinePlus

Fragment of a classic H-bonded chain (shown with dashed lines). The H(C) atoms are omitted for clarity.
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Fap2: Fragment of a classic H-bonded chain (shown with dashed lines). The H(C) atoms are omitted for clarity.


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 AA, Vologzhanina AV, Odin IS, Tret'yakova TP, Naumov SV - Acta Crystallogr E Crystallogr Commun (2015)

Fragment of a classic H-bonded chain (shown with dashed lines). The H(C) atoms are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645000&req=5

Fap2: Fragment of a classic H-bonded chain (shown with dashed lines). The H(C) atoms are omitted for clarity.
Bottom Line: 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⋯π inter-actions into a three-dimensional supra-molecular architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Chemical Processes and Techologies, Togliatti State University, 445667 Togliatti, Russian Federation.

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⋯π inter-actions into a three-dimensional supra-molecular architecture.

No MeSH data available.


Related in: MedlinePlus