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3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.

ABSTRACT: In the title compound, C(31)H(29)BrN(2)O(2)S, the pyrrolidine ring is in a twist conformation and the tetra-hydro-pyridine ring adopts an envelope conformation with the methine C atom adjacent to the NH group as the flap atom; the two rings are trans-fused. The bromo-benzene ring and the nearest phenyl ring form a dihedral angle of 82.72 (10)°. The benzyl phenyl and the tosyl phenyl rings are oriented at a dihedral angle of 75.57 (11)°. An intra-molecular N-H⋯π inter-action is observed. In the crystal, mol-ecules are linked into chains running along [101] by C-H⋯O hydrogen bonds and the chains are cross-linked via weak C-H⋯π inter-actions.

SUBMITTER: Chinnakali K

PROVIDER: S-EPMC2971917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Benzyl-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.

Project description:In the title compound, C(31)H(30)N(2)O(2)S, the pyrrolidine ring adopts a twist conformation while the tetra-hydro-pyridine ring is in a half-chair conformation. The two rings are trans-fused. The pyridine-bound phenyl ring forms dihedral angles of 17.7?(1) and 48.1?(1)°, respectively, with the tosyl and benzyl phenyl rings. The mol-ecular structure is stabilized by an N-H?? inter-action involving the benzyl phenyl ring. In the crystal structure, mol-ecules translated by one unit along the a axis are linked into chains by C-H?? inter-actions involving the benzene ring of the tosyl group.

| S-EPMC2971326 | biostudies-literature

3-Benzyl-7-chloro-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.

Project description:In the title compound, C(31)H(29)ClN(2)O(2)S, the pyrrolidine ring adopts an envelope conformation with the methine C atom adjacent to the NH group as the flap atom. The tetra-hydro-pyridine ring has a half-chair conformation. The two rings are trans-fused. The chloro-benzene ring and the adjacent phenyl ring form a dihedral angle of 77.9?(1)°. The benzyl phenyl and the tosyl phenyl rings are oriented at a dihedral angle of 88.0?(1)°. In the crystal, mol-ecules are linked into chains along the a axis by N-H?Cl and C-H?Cl hydrogen bonds and the adjacent chains are cross-linked via C-H?? inter-actions.

| S-EPMC2972055 | biostudies-literature

3-Benzyl-7-meth-oxy-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.

Project description:In the title compound, C(32)H(32)N(2)O(3)S, the pyrrolidine ring adopts an envelope conformation with the methine C atom nearest to the phenyl ring as the flap atom. The tetra-hydro-pyridine ring has a half-chair conformation. The two rings are trans-fused. The phenyl ring bound to the tetra-hydro-pyridine is oriented almost perpendicular [dihedral angle = 86.35?(10)°] to the fused benzene ring. The dihedral angle between the benzyl-phenyl ring and the sulfonyl-bound phenyl ring is 69.43?(10)°. A very weak N-H?? inter-action is observed in the mol-ecular structure. In the crystal, mol-ecules translated one unit along the b axis are linked into C(10) chains by C-H?O hydrogen bonds; adjacent chains are linked via C-H?? inter-actions, forming a two-dimensional network parallel to the bc plane.

| S-EPMC2971011 | biostudies-literature

3-Benzyl-7-methyl-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.

Project description:In the title compound, C(32)H(32)N(2)O(2)S, the pyrrolidine ring adopts a twist conformation while the tetra-hydro-pyridine ring is in a distorted half-chair conformation. The two rings are trans-fused. The dihedral angle between the sulfonyl and benzyl phenyl rings is 72.54?(14)°. The mol-ecular structure is stabilized by C-H?O hydrogen bonds, and N-H?? inter-actions involving the benzyl phenyl ring. The screw-related mol-ecules are linked into chains along the b axis by C-H?O hydrogen bonds and C-H?? inter-actions. Adjacent inversion-related chains inter-act via C-H?? inter-actions, forming a two-dimensional network parallel to the bc plane.

| S-EPMC2971294 | biostudies-other

3-Ethyl-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline.

Project description:In the mol-ecule of the title compound, C(26)H(28)N(2)O(2)S, the pyrrolidine ring adopts an envelope conformation and the tetra-hydro-pyridine ring is in a half-chair conformation; these two rings are trans-fused. The dihedral angle between the pyridine- and sulfonyl-bound benzene rings is 36.15 (5)°. In the crystalline state, the mol-ecules are linked into a two-dimensional network parallel to the ab plane by C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2960215 | biostudies-literature

2-Tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-benzo[f]isoindol-1-one.

Project description:The title compound, C19H19NO3S, was produced by the self-reaction of N-cinnamyl-N-tosyl-acryl-amide in the presence of palladium(II) acetate via an intra-molecular C-C coupling reaction and C-H activation. There are two chiral C atoms in the mol-ecule, but the crystal is a racemic system due to a lack of chiral separation. The five-membered ring is twisted about the methyl-ene-methane bond, and the cyclo-hexa-1,4-diene ring has a boat conformation. The dihedral angle between the benzene rings is 88.27?(14)°, indicating an almost orthogonal relationship and an approximate L-shape for the mol-ecule. In the crystal, the presence of C-H?? inter-actions leads to inversion dimers.

| S-EPMC3685075 | biostudies-literature

7-Bromo-3-ethyl-9-phenyl-2-tosyl-pyrrolo[3,4-b]quinoline.

Project description:In the title compound, C(26)H(27)BrN(2)O(2)S, the pyrrolidine ring adopts a twist conformation, while the tetra-hydro-pyridine ring is in a half-chair conformation. The two rings are trans-fused. The dihedral angle between the phenyl ring and the sulfonyl-bound benzene ring is 22.83?(7)°. N-H?O hydrogen bonds link the mol-ecules into a chain along the b axis, and the chains are cross-linked into a three-dimensional network by a C-H?? inter-action and a weak ?-? inter-action between the sulfonyl-bound benzene rings; the centroid-centroid distance is 3.6957?(8)?Å.

| S-EPMC2915203 | biostudies-literature

4-(4-Bromo-phen-yl)-2,3,3a,4,5,11c-hexa-hydro-benzo[f]furo[3,2-c]quinoline.

Project description:In the title compound, C(21)H(18)BrNO, both heterocyclic rings, viz. the hydro-pyridine ring and the adjacent hydro-furan ring, adopt envelope conformations. These two heterocycles make a dihedral angle of 37.3?(1)°. The dihedral angle between the hydro-pyridine and benzene rings is 69.6?(1)°. In the crystal, adjacent mol-ecules are linked by pairs of inter-molecular C-H?O hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC3200627 | biostudies-literature

1-Ethyl-2-tosyl-4,4,6-trimethyl-2,3,3a,4-tetra-hydro-1H-pyrrolo[3,4-c]pyrano[6,5-b]quinoline-11(6H)-one monohydrate.

Project description:In the title compound, C(26)H(30)N(2)O(4)S·H(2)O, the pyrrolidine and dihydro-pyran rings adopt envelope conformations and they are cis-fused. The sulfonyl group has a distorted tetra-hedral geometry. In the crystal structure, the mol-ecules are linked into a ribbon-like structure along the a axis by O/C-H?O hydrogen bonds involving water mol-ecules and C-H?? inter-actions involving the sulfonyl-bound phenyl ring. Adjacent ribbons are cross-linked via C-H?O hydrogen bonds involving a sulfonyl O atom and C-H?? inter-actions involving the pyridinone ring.

| S-EPMC2970140 | biostudies-other

Ethyl 1-benzyl-1,2,3,3a,4,10b-hexa-hydro-pyrrolo-[2',3':3,4]pyrrolo-[1,2-a]benzimidazole-2-carboxyl-ate.

Project description:The title mol-ecule, C(22)H(23)N(3)O(2), was obtained via an intra-molecular cyclo-addition of an azomethine ylide and an alkene tethered by a benzimidazole unit. The benzoimidazole unit is essentially planar, with an r.m.s. deviation of 0.0087?Å from the nine constituent atoms. It has a cis fusion of the two pyrrolidine rings as well as a cis ester appendage. The two pyrrolidine rings rings have envelope conformations. The crystal packing is stabilized by aromatic ?-? stacking of parallel benzimidazole ring systems, with a centroid-to-centroid distance of 3.518?(6)?Å. Weak inter-molecular C-H?O contacts may also play a role in the stability of the packing.

| S-EPMC3089295 | biostudies-literature

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