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1-Methyl-3,5-bis-[(E)-(3-methyl-2-thienyl)methyl-ene]piperidin-4-one monohydrate.

ABSTRACT: In the title mol-ecule, C(18)H(19)NOS(2)·H(2)O, the piperidine ring adopts an envelope conformation with the methyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio-phene rings is 6.04 (14)°. The water mol-ecule forms two donor inter-actions, one with the carbonyl O atom and the other to the hetero N atom. The centrosymmetric {C(18)H(19)NOS(2)·H(2)O}(2) pairs thus formed are linked into a supra-molecular chain via C-H⋯O(water) contacts.

SUBMITTER: Rajeswari K

PROVIDER: S-EPMC2968964 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title mol-ecule, C(22)H(19)NOS(2), the piperidine ring adopts an envelope conformation with the benzyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio-phene rings is 1.55 (18)°. The thio-phene rings form angles of 72.21 (14) and 73.43 (14)° with the phenyl ring. Both thio-phene rings are disordered over two orientations [occupancy ratios of 0.799 (1):0.201 (1)] at 180° from one another. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions help to stabilize the packing.

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Project description:The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol-ecule plus a water mol-ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68 (8) and 83.65 (8)°]. The C-O bond of the hy-droxy group subtends an angle of 31.71 (10)° with the plane through the central aromatic ring. The crystal packing is mediated by the presence of several O-H⋯O hydrogen-bonding inter-actions and while the water mol-ecules form a C(2) (1)(4) chain parallel to the c axis of the unit cell, the pendant hy-droxy groups are engaged in O-H⋯O=C hydrogen bonds described by a C(1) (1)(12) graph-set motif which runs parallel to the a axis.

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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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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.

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1-Benzyl-3,5-bis-(4-chloro-benzyl-idene)piperidin-4-one.

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catena-Poly[[diiodidocadmium]-?-[4,4'-(2,3,5,6-tetra-methyl-1,4-phenyl-ene)bis-(methyl-ene)]bis-(3,5-dimethyl-1H-pyrazole)-?N:N].

Project description:The heterocylic ligand of the polymeric title compound, [CdI(2)(C(22)H(30)N(4))], links two adjacent CdI(2) units, forming a chain running parallel to [[Formula: see text]01]. The Cd(II) atom is located on a twofold rotation axis and shows a distorted tetra-hedral CdI(2)N(2) coordination. The mid-point of the benzene ring of the ligand lies on a center of inversion. There are no classical hydrogen-bonding inter-actions present.

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Redetermination of ethyl-ene-diammonium bis-(p-methyl-benzene-sulfonate) monohydrate.

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