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(2E,4E)-1-(2-Hy-droxy-phen-yl)-5-phenyl-penta-2,4-dien-1-one.

ABSTRACT: In the structure of the title chalcone, C(17)H(14)O(2), derived from cinnamaldehyde, the olefine group has a trans configuration. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen-bond inter-action with graph-set motif S(6).

SUBMITTER: Silva WA

PROVIDER: S-EPMC3200610 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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(2E,4E)-1-(2-Hy-droxy-phen-yl)-5-phenyl-penta-2,4-dien-1-one.

Silva W A WA Gatto C C CC Oliveira G R GR

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

In the structure of the title chalcone, C(17)H(14)O(2), derived from cinnamaldehyde, the olefine group has a trans configuration. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen-bond inter-action with graph-set motif S(6). ...[more]

PMID: 22058899

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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.

Project description: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.

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(2Z,4E)-1-(5-Fluoro-2-hy-droxy-phen-yl)-5-(4-fluoro-phen-yl)-3-hy-droxy-penta-2,4-dien-1-one.

Project description:In the title mol-ecule, C17H12F2O3, the dihedral angle between the benzene rings is 8.6?(2)°. In the crystal, two pairs of O-H?O hydrogen bonds connect the mol-ecules into inversion dimers. In addition, weak C-H?F hydrogen bonds link the dimers into a two-dimensional network parallel to (10-4). The carbonyl O atom is an acceptor for two weak intra-molecular hydrogen bonds.

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(2E,4E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)-5-phenyl-penta-2,4-dien-1-one.

Project description:In the title compound, C(27)H(20)ClNO, the quinoline ring forms a dihedral angle of 62.53?(5)° with the substituent benzene ring. In the crystal, inter-molecular C-H?Cl inter-actions link the mol-ecules into chains along the b axis. Inter-molecular C-H?N and C-H?O hydrogen bonds further consolidate the structure into a three-dimensional network. The unit cell contains four solvent-accessible voids, each with a volume of 35?Å(3), but no significant electron density was found in them.

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(2E,4E)-Ethyl 5-(phenyl-sulfon-yl)penta-2,4-dienoate.

Project description:In the title compound, C(13)H(14)O(4)S, both C=C double bonds adopt an E conformation. In the crystal, mol-ecules are linked into centrosymmetric R(2) (2)(14) dimers via pairs of C-H?O hydrogen bonds.

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(1E,4E)-1-(3-Nitro-phen-yl)-5-phenyl-penta-1,4-dien-3-one.

Project description:In the title compound, C(17)H(13)NO(3), the dihedral angle between the benzene rings is 31.21?(5)°. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds occur. A C-H?? inter-action is also indicated.

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(2E,4E)-Ethyl 5-(2,4-di-chloro-phenyl-sulfon-yl)penta-2,4-dienoate.

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(2E,4E)-N-Benzyl-2-cyano-5-phenyl-penta-2,4-dienamide.

Project description:In the title compound, C(19)H(16)N(2)O, the mol-ecule adopts an E configuration about the two C=C double bonds. The dihedral angle between the phenyl rings is 88.89?(8)°. In the crystal, mol-ecules are linked by inter-molecular N-H?N and C-H?O hydrogen bonds into chains running parallel to [130].

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Ethyl (2E,4E)-5-(3-bromo-phenyl-sulfon-yl)penta-2,4-dienoate.

Project description:In the title compound, C13H13BrO4S, both C=C double bonds adopt an E conformation. The S atom has a distorted tetra-hedral geometry with bond angles ranging from 102.17?(13) to 119.77?(14)°. The ethyl acrylate substituent adopts an extented conformation with all torsion angles close to 180°. In the crystal, mol-ecules are linked into centrosymmetric R 2 (2)(14) dimers via pairs of C-H?O hydrogen bonds.

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(1E,4E)-1,5-Bis(2,4-dimethyl-phen-yl)penta-1,4-dien-3-one.

Project description:In the title compound, C(21)H(22)O, a derivative of the biologically active compound curcumin, the dihedral angle between the aromatic ring planes is 20.57?(11)°.

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(E,Z)-1-(4-Chloro-phen-yl)-5-phenyl-5-(phenyl-sulfan-yl)penta-2,4-dien-1-one.

Project description:The penta-2,4-dien-1-one fragment of the title compound, C23H17ClOS, is twisted by 20.0?(3)°, as measured by the dihedral angle between the planes of the carbonyl group and its attached C atom and the distant C=C double bond and its attached C atom. The 4-chloro-phenyl group forms a dihedral angle of 4.0?(3)° with the adjacent carbonyl group. Conjugation between the phenyl ring and the C=C double bond is absent; the dihedral angle between the phenyl ring and the C-C=C fragment is 34.3?(2)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming chains parallel to the b-axis direction.

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