(E)-Methyl 2-benzyl-3-o-tolyl­acrylate

In the title compound, C18H18O2, the methyl acrylate substituent adopts an extended E conformation with all torsion angles close to 180°. The mean plane of the acrylate unit and the phenyl ring are approximately orthogonal to each other, making a dihedral angle of 81.40 (6)°. The position of the carbonyl group with respect to the olefinic double bond is typically S-trans. The crystal packing is stabilized by inter­molecular C—H⋯π inter­actions

Methyl 4′-(3-bromophenyl)-3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

In the title compound, C29H29BrN2O3, the indole ring system is essentially planar (r.m.s. deviation = 0.079 Å) and makes a dihedral angle of 85.23 (10)° with the mean plane of the 4-methylpyrrolidine ring. This ring adopts an envelope conformation with the N atom at the flap. The pyrrolidine ring of the indole ring system adopts a twisted conformation on the C—C(=O) bond. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked via pairs of C—H...O hydrogen bonds, forming inversion dimers with an R22(14) ring motif. These dimers are further linked by N—H...O and C—H...O hydrogen bonds, forming two-dimensional networks lying parallel to (10-1)

2-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]malononitrile

In the title compound, C11H5N3O4, the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O—C—O C atom. In the crystal, molecules are linked via C—H...O interactions, resulting in R22(6) and R22(12) graph-set motifs

Methyl 3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxo-4′-phenylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate chloroform monosolvate

In the title solvate, C29H30N2O3·CHCl3, the dihedral angle between the indole ring system (r.m.s. deviation = 0.050 Å) and the 4-methylpyrrolidine ring is 88.88 (8)°. The latter ring adopts an envelope conformation with the N atom as the flap. Its mean plane makes dihedral angles of 86.94 (11) and 42.08 (9)° with the phenyl and dimethylbenzene rings, respectively. The molecular conformation is stabilized by intramolecular C—H...O hydrogen bonds, which generate S(6) and S(9) ring motifs. The chloroform solvent molecule is linked to the organic molecule by a C—H...O hydrogen bond involving the carbonyl O atom of the carboxylate group. In the crystal, molecules are linked via bifurcated N—H...(N,O) and C—H...O hydrogen bonds, forming chains propagating along [001]

Methyl 3′-benzyl-4′-(2,4-dichlorophenyl)-1′-methyl-2-oxo-1-propylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

In the title compound, C30H30Cl2N2O3, the indole ring system is roughly planar, with a maximum deviation of 0.1039 (18) Å for the carbonyl C atom, and makes a dihedral angle of 86.61 (9)° with the mean plane of the pyrrolidine ring. This spiro pyrrolidine ring adopts an envelope conformation with the N atom at the flap position. The pyrrole ring of the indole ring system adopts a twisted conformation on the C—C(=O) bond. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(6) ring motif, and a π–π interaction [centroid–centroid distance = 3.6577 (12) Å] involving the 2,4-dichlorophenyl ring and the benzyl ring. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming C(9) chains running parallel to [10-1]

A Discrete Self-Assembled Pd12 Triangular Orthobicupola Cage and its Use for Intramolecular Cycloaddition

Water-soluble Pd12L6 coordination cage TC-1 was synthesized by coordination-driven self-assembly of symmetrical tetrapyridyl donor L with 908 ditopic acceptor cis- [Pd(NO3)2(tmeda)] [tmeda=N,N,N\u2019,N\u2019-tetramethylethane-1,2- diamine]. The Pd12L6 coordination assembly is an uncommon example of a coordination cage having triangular orthobicupola- like geometry. It was characterized by multinuclear NMR spectroscopy, ESI-MS, and single-crystal X-ray diffraction. Self-assembly of a tetratopic donor with a cis-blocked 90\ub0 ditopic acceptor generally yields tri-/tetra-/hexagonal barrels or closed cubic cages. However, in the present case the donor and acceptor are arranged in an unusual fashion to generate an orthobicupola geometry in which two triangular cupola share a common irregular hexagonal face. The cage was used to perform intramolecular cycloaddition reactions of O-propargylated benzylidinebarbituric acid derivatives in nitromethane. Several penta-/tetracyclouracil derivatives were synthesized through cage-catalyzed [4+2] cycloaddition reactions in a concerted manner with good to high conversion under mild reaction conditions, whereas in the absence of cage TC-1 similar reactions led to lower conversion to the cyclized products in organic solvent. This approach is of particular importance compared to the literature reports on the synthesis of similar compounds under hightemperature reflux conditions with high catalyst loading

Methyl (2Z)-2-bromomethyl-3-(2,4-dichlorophenyl)prop-2-enoate

In the title compound C11H9BrCl2O2, which represents the Z isomer, the methylacrylate moiety is essentially planar within 0.039 (2) Å and has an extended trans configuration. The benzene ring makes a dihedral angle of 28.3 (1)° with the mean plane of the methylacrylate moiety. The crystal packing is characterized by C—H...O hydrogen bonding and halogen–halogen interactions [Cl...Cl = 3.486 (3) Å], resulting in the formation of R22(11) ring motifs and connecting the molecules into chains propagating along the b axis