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Ethyl 1''-benzyl-1'-methyl-2''-oxodi-spiro-[indeno-[1,2-b]quinoxaline-11,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

ABSTRACT: In the title compound, C36H30N4O3, the quinoxaline-indene system is roughly planar, with a maximum deviation from the mean plane of 0.218 Å for the C atom shared with the central pyrrolidine ring. This latter ring forms dihedral angles of 84.54 (7) and 83.91 (8)° with the quinoxaline-indene system and the indole ring, respectively. The central pyrrolidine ring has an envelope conformation with the N atom as the flap, while the pyrrolidine and five-membered rings of the indole group adopt twisted conformation and envelope (with the C atom bearing the quinoxaline-indene system as the flap) conformations, respectively. In the crystal, mol-ecules are linked via weak C-H⋯N hydrogen bonds, forming a chain running along [100].

SUBMITTER: Kannan PS

PROVIDER: S-EPMC3684912 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl (2S,2'R)-1'-benzyl-3-oxo-3H-di-spiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',11''-indeno[1,2-b]quinoxaline]-4'-carboxyl-ate.

Project description:In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzo-thio-phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzo-thio-phene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ratio. In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯N and π-π inter-actions [shortest centroid-centroid distance = 3.4145 (19) Å], resulting in a three-dimensional network.

| S-EPMC4350717 | biostudies-literature

Ethyl 1''-benzyl-2''-oxo-2',3',5',6',7',7a'-hexa-hydro-1'H-di-spiro-[indeno-[1,2-b]quinoxaline-11,2'-pyrrolizine-3',3''-indoline]-1'-carboxyl-ate monohydrate.

Project description:In the title compound, C38H32N4O3·H2O, the quinoxaline-indene and pyrrolizine systems are essentially planar, with maximum deviations from their mean planes of 0.162 and 0.563 Å, respectively. The pyrrolizine ring forms dihedral angles of 88.53 (5) and 89.95 (8)° with the quinoxaline-indene system and the indoline ring, respectively. The central pyrrolidine ring has an envelope conformation with the C atom bearing the quinoxaline-indene system as the flap. The pyrrolidine ring of the indole system adopts an envelope conformation with the C atom bonded to the pyrrolizine ring N atom as the flap. The five-membered ring attached to the central pyrolidine ring adopts a twisted conformation. In the crystal, O-H⋯N and O-H⋯O hydrogen bonds between water mol-ecules and pyrrolizine N and carbonyl O atoms together with C-H⋯O inter-actions result in chains along [100].

| S-EPMC3684937 | biostudies-literature

Methyl 3'-benzyl-4'-(2-chloro-phen-yl)-1'-methyl-2-oxo-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

Project description:In the title compound, C27H25ClN2O3, the methyl-pyrrolidine ring adopts an envelope conformation with the N atom at the flap. The mean plane of the pyrrolidine ring makes dihedral angles of 82.1 (1), 84.4 (1) and 79.8 (1)°, respectively, with the adjacent benzene ring, the mean plane of the indoline ring system and the phenyl ring. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds. In the crystal, mol-ecules are linked into chains along [101] by N-H⋯O hydrogen bonds. C-H⋯π inter-actions are observed between the chains.

| S-EPMC3793722 | biostudies-literature

Methyl 3'-benzyl-4'-(2,4-di-chloro-phen-yl)-1'-methyl-2-oxo-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

Project description:In the title compound, C27H24Cl2N2O3, the indole ring system is essentially planar, with a maximum deviation of 0.082 (2) Å for the carbonyl C atom. It makes a dihedral angle of 88.53 (6)° with the mean plane of the 4-methyl-pyrrolidine ring, which adopts an envelope conformation with the N atom at the flap position. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) and S(7) ring motifs, and an intra-molecular π-π inter-action involving the benzyl and di-chloro-substituted benzene rings [centroid-centroid distance = 3.6291 (11) Å]. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming C(7) chains running parallel to [10-1].

| S-EPMC3998484 | biostudies-literature

Ethyl 4'-ethenyl-2'-oxo-4-phenyl-2-(3,4,5-trimethoxy-phen-yl)spiro-[pyrrolidine-3,3'-indoline]-5-carboxyl-ate monohydrate.

Project description:In the title compound, C(31)H(32)N(2)O(6)·H(2)O, the pyrrolidine ring adopts an envelope conformation. The ethyl C atoms of the ethoxy-cabonyl group are disordered over two positions with occupancies of ca 0.80 and 0.20. Intra-molecular N-H⋯O hydrogen bonds form S(5) and S(6) ring motifs. Mol-ecules are linked into a three-dimensional framework by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and by C-H⋯π inter-actions.

| S-EPMC2959656 | biostudies-literature

Crystal structure of methyl 3'-benzamido-4'-(4-meth-oxy-phen-yl)-1'-methyl-spiro-[indeno-[1,2-b]quinoxaline-11,2'-pyrrolidine]-3'-carboxyl-ate.

Project description:In the title compound, C35H30N4O3, the spiro C atom connects the five-membered pyrrolidine ring and the indeno-quinoxaline ring system. The pyrrolidine ring adopts a twist conformation. An intra-molecular N-H?N inter-action between the amino group and the pyrazine ring is observed. In the crystal, mol-ecules are linked by a pairs of C-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC5120701 | biostudies-other

4-Ferrocenyl-1-methyl-3-benzoyl-spiro-[pyrrolidine-2,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C31H24N3O)], the pyrrolidine ring adopts a twist conformation. The pyrrolidine ring is almost perpendicular to the indeno-quinoxaline ring system, making a dihedral angle of 84.44?(5)°. The cyclo-penta-dienyl rings of the ferrocene moiety adopt an eclipsed conformation. The crystal packing features weak C-H?N and C-H?? inter-actions.

| S-EPMC3588807 | biostudies-other

Methyl 5''-chloro-1',1''-dimethyl-2,2''-dioxodi-spiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C22H20ClN3O4, the central pyrrolidine ring adopts an envelope conformation on the N atom. The indolinone systems are individually roughly planar, with maximum deviations from their mean planes of 0.130 Å for the spiro C atom of the indolinone unit and 0.172 Å for the carbonyl C atom of the 5-chloro-1-methyl-indolinone unit. They make dihedral angles of 77.7 (8) and 86.1 (8)° with the mean plane through the central pyrrolidine ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds supported by C-H⋯O contacts into chains along the ab diagonal. The structure also features C-H⋯O hydrogen bonds, forming R 2 (2)(8) and R 2 (2)(16) rings and generating a three-dimensional array.

| S-EPMC3684914 | biostudies-literature

1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione.

Project description:In the title compound, C(38)H(32)N(2)O(2), the pyrrolidine ring adopts an envelope conformation, whereas the cyclo-hexa-none ring in the tetra-hydro-naphthalene fused-ring system adopts a half-chair conformation. The benzyl ring is oriented at an angle of 67.1?(1)° with respect to the naphthyl ring system. Four intra-molecular C-H?O close contacts and C-H?? inter-action are observed. In the crystal, mol-ecules associate via C-H?O hydrogen bonds, forming a C(12) chain motif along the ac plane.

| S-EPMC3151757 | biostudies-literature

Crystal structure of ethyl 1',5-dimethyl-2'',3-dioxo-3H-di-spiro-[benzo[b]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

Project description:The title compound, C23H22N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the Cspiro-Cspiro bond, in both mol-ecules. In mol-ecule A, the mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59 (10) and 84.51 (11)°, respectively, and to one another by 72.69 (7)°. The corresponding angles in mol-ecule B are 87.15 (10), 84.58 (10) and 72.07 (7)°, respectively. In the crystal, the A and B mol-ecules are linked to one another by two N-H⋯O hydrogen bonds, forming a dimer. These dimers are linked via C-H⋯O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4350727 | biostudies-literature

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