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3-[(E)-4-Methoxy-benzyl-idene]-1-methyl-piperidin-4-one.

ABSTRACT: The piperidone ring of the title compound, C(14)H(17)NO(2), adopts a half-chair conformation. The crystal packing is stabilized by inter-molecular C-H?O inter-actions, which generate a C(8) chain running along the b axis.

SUBMITTER: Gayathri D

PROVIDER: S-EPMC2960746 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature

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3-[(E)-4-Methoxy-benzyl-idene]-1-methyl-piperidin-4-one.

Gayathri D D Velmurugan D D Kumar R Ranjith RR Perumal S S Ravikumar K K

Acta crystallographica. Section E, Structure reports online 20080206 Pt 3

The piperidone ring of the title compound, C(14)H(17)NO(2), adopts a half-chair conformation. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions, which generate a C(8) chain running along the b axis. ...[more]

PMID: 21201895

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1-Benzyl-3,5-bis-[(E)-3-thienyl-methyl-idene]piperidin-4-one.

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Project description:In the title compound, C(29)H(34)N(2)O(2), the central piperidine ring adopts a half-chair conformation, whereas the terminal one adopts a chair conformation. The mean plane of the central piperidine ring [maximum deviation = 0.384 (2) Å] makes dihedral angles of 64.82 (13) and 17.55 (13)° with the benzene rings. In the crystal, mol-ecules are linked into a tape along the b axis via C-H⋯O inter-actions, generating R(2) (2)(20) and R(2) (1)(6) graph-set motifs. C-H⋯π inter-actions are observed between the tapes.

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Project description:The title compound, C(26)H(21)Cl(2)NO, crystallizes with two symmetry-independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011?(1) and 0.036?(1)?Å in mol-ecules A and B, respectively] and the two almost planar [maximum deviations of 0.020?(1) and 0.008?(1)?Å in A and 0.007?(1) and 0.011?(1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1?(1) and 31.2?(1)° in mol-ecule A, and 26.4?(1) and 19.6?(1)° in mol-ecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7?(1) and 53.2?(1)° in mol-ecules A and B, respectively. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the two independent mol-ecules into dimers.

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3,5-Bis(4-chloro-benzyl-idene)-1-methyl-piperidin-4-one.

Project description:In the title mol-ecule, C(20)H(17)Cl(2)NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004?(1)?Å] and the two almost planar side-chain fragments [maximum deviations = 0.015?(1) and 0.019?(1)?Å], that include the aromatic ring and bridging atoms, are 18.1?(1) and 18.0?(1)°. In the crystal, pairs of weak inter-molecular C-H?O hydrogen bonds link mol-ecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak inter-molecular C-H?? inter-actions involving the benzene rings.

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3-Benzyl-idene-6-methoxy-chroman-4-one.

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Project description:The title compound, C(10)H(12)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. The side chains in the two independent mol-ecules have slightly different orientations, with the C=N-N-C torsion angle being 169.19 (14)° in one of the mol-ecules and -179.86 (14)° in the other. Each independent mol-ecule adopts a trans configuration with respect to the C=N bond. In the crystal structure, mol-ecules are linked into chains running along [001] by N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds. In addition, an inter-molecular C-H⋯π inter-action is observed.

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Crystal structures of 3,5-bis-[(E)-3-hy-droxy-benzyl-idene]-1-methyl-piperidin-4-one and 3,5-bis-[(E)-2-chloro-benzyl-idene]-1-methyl-piperidin-4-one.

Project description:The title compounds, C20H19NO3, (1), and C20H17Cl2NO, (2), are the 3-hy-droxy-benzyl-idene and 2-chloro-benzyl-idene derivatives, respectively, of curcumin [systematic name: (1E,6E)-1,7-bis-(4-hy-droxy-3-meth-oxy-phen-yl)-1,6-hepta-diene-3,5-dione]. The dihedral angles between the benzene rings in each compound are 21.07?(6)° for (1) and 13.4?(3)° for (2). In both compounds, the piperidinone rings adopt a sofa confirmation and the methyl group attached to the N atom is in an equatorial position. In the crystal of (1), two pairs of O-H?N and O-H?O hydrogen bonds link the mol-ecules, forming chains along [10-1]. The chains are linked via C-H?O hydrogen bonds, forming undulating sheets parallel to the ac plane. In the crystal of (2), mol-ecules are linked by weak C-H?Cl hydrogen bonds, forming chains along the [204] direction. The chains are linked along the a-axis direction by ?-? inter-actions [inter-centroid distance = 3.779?(4)?Å]. For compound (2), the crystal studied was a non-merohedral twin with the refined ratio of the twin components being 0.116?(6):0.886?(6).

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(3E,5E)-1-Benzyl-3,5-bis-(2-fluoro-benzyl-idene)piperidin-4-one.

Project description:The inversion-related mol-ecules of the title compound, C(26)H(21)F(2)NO, associate into closed dimeric subunits via co-operative C-H⋯π inter-actions. Two non-classical C-H⋯O and one C-H⋯N intra-molecular hydrogen bonds are also found in the crystal structure. The piperidin-4-one ring adopts a sofa conforamtion with the 1-benzyl group in the equatorial position, and the equiplanar fluoro-phenyl substituents in the 3- and 5-positions stretched out on either side. The 1-benzyl group is disposed towards the substituent in the 6th position of the piperidin-4-one ring. The 3,5-diene units possess E configurations.

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2,6-Bis(3-methoxy-phen-yl)-3-methyl-piperidin-4-one.

Project description:In the mol-ecule of the title compound, C(20)H(23)NO(3), the bulky methoxy-phenyl substituents at the equatorial 2,6-positions crowd the vicinity of the equatorial amino H atom and prevent it from forming inter-molecular hydrogen bonds. The piperidine ring adopts a distorted chair conformation.

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