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5''-(4-Chloro-benzyl-idene)-1'-(4-chloro-phen-yl)-1''-methyl-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro-[acenaphthyl-ene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione.

ABSTRACT: In the title compound, C37H32Cl2N2O2, the pyridinone ring adopts a twisted half-chair conformation. The fused pyrrolidine and piperidine rings of the octa-hydro-indolizine unit exhibit envelope (with the C atom bound to the C atom bearing the chloro-benzene ring being the flap atom) and chair conformations, respectively. The dihedral angle between the chloro-benzene rings is 84.03 (1)°. In the crystal, C-H⋯π inter-actions lead to supra-molecular chains along [101] that assemble in the ac plane. Connections along the b axis are of the type Cl⋯Cl [3.4065 (8) Å].

SUBMITTER: Suresh J

PROVIDER: S-EPMC3588924 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Similar Datasets

5''-(2,4-Dichloro-benzyl-idene)-1'-(2,4-dichloro-phen-yl)-1''-methyl-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro-[acenaphthyl-ene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione.

Project description:In the title compound, C(37)H(30)Cl(4)N(2)O(2), the pyridinone ring adopts a twisted half-chair conformation. In the octa-hydro-indolizine fused-ring system, the piperidine ring is in a chair conformation and the pyrrole ring is twisted about the C-N bond linking the five- and six-membered rings. The mol-ecular structure features an intra-molecular C-H?O inter-action and the crystal packing is stabilized by C-H?? inter-actions.

| S-EPMC3470255 | biostudies-literature

5''-Benzyl-idene-1''-methyl-1'-phenyl-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro[acenaphthyl-ene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione.

Project description:In the title compound, C(37)H(34)N(2)O(2), the pyridinone ring adopts a half-chair conformation. In the octa-hydro-indolizine fused-ring system, the piperidine ring is in a chair conformation and the pyrrole ring is twisted about the N-C(piperidine) bond. The mol-ecular structure features a weak intra-molecular C-H?O inter-action.

| S-EPMC3470345 | biostudies-other

rac-5''-(4-Fluoro-benzyl-idene)-1'-(4-fluoro-phen-yl)-1''-methyl-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro-[acenaphthyl-ene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione.

Project description:In the title E isomer of the racemic compound, C37H32F2N2O2, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by -0.355?(3)?Å and with the methyl-ene C atom next to octa-hydro-indolizine moiety deviating by 0.415?(3)?Å from the mean plane defined by other four atoms. In the octa-hydro-indolizine system, the pyrrolidine ring exhibits an envelope conformation with the fused methyne C atom deviating by 0.6496?(1)?Å from the mean plane defined by four other atoms, and the piperidine ring exhibits a distorted chair conformation as evident from the puckering parameters Q = 0.568?(2)?Å, ? = 1.0?(2) and ? = 256?(11)°. In the crystal, C-H?O inter-actions connect the mol-ecules into chains along [101].

| S-EPMC3588349 | biostudies-literature

5''-(4-Meth-oxy-benzyl-idene)-1'-(4-meth-oxy-phen-yl)-1''-methyl-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro-[acenaphthyl-ene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione.

Project description:In the title compound, C(39)H(38)N(2)O(4), the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methyl-ene C atom adjacent to the octa-hydro-indolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octa-hydro-indolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parameters Q = 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C-H⋯O inter-actions form centrosymmetric dimers, which are further connected by C-H⋯π inter-actions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

| S-EPMC3569788 | biostudies-literature

5''-(2-Fluoro-benzyl-idene)-1'-(2-fluoro-phen-yl)-1''-methyl-1',2',3',5',6',7',8',8a'-octa-hydro-dispiro-[ace-naphthyl-ene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione.

Project description:In the title compound, C37H32F2N2O2, the central six-membered piperidine ring adopts a twisted half-chair conformation, with the N and methyl-ene C atoms deviating by -0.2875 (16) and 0.4965 (15) Å, respectively, from the mean plane defined by the other four atoms. The piperidine connected to the octa-hydro-indolizine ring is in a half-chair conformation. The five-membered pyrrole ring adopts a slightly twisted envelope conformation with the piperidine C atom as the flap atom. The F and H atoms of both fluoro-benzene rings are disordered, with occupancy factors of 0.941 (3):0.059 (3) and 0.863 (3):0.137 (3). The mol-ecular structure features some intra-molecular C-H⋯O inter-actions. In the crystal, a supra-molecular zigzag chain sustained by C-H⋯F inter-actions parallel to the c axis is formed, generating a C(12) graph-set motif.

| S-EPMC3793784 | biostudies-literature

5''-Benzyl-idene-5-chloro-1',1''-dimethyl-4'-phenyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione.

Project description:The title compound, C30H28ClN3O2, features two spiro links, one connecting the piperidine and pyrrolidine rings, and the other connecting the pyrrolidine ring and indole residue. The configuration about the ethene bond is E. The piperidine ring adopts a half-chair conformation where the C atom connected to the spiro-C atom lies 0.713 (3) Å out of the plane of the remaining five atoms (r.m.s. deviation = 0.086 Å). The pyrrolidine ring has an envelope conformation with the flap atom being the methyl-ene C atom. Centrosymmetric eight-membered {⋯HNCO}2 amide synthons feature in the crystal packing. These are consolidated into a three-dimensional architecture by phen-yl-pyrrolidine C-H⋯N and chloro-benzene-pyrrolidine-bound phenyl C-H⋯π inter-actions.

| S-EPMC4029213 | biostudies-literature

5-Chloro-5''-(4-chloro-benzyl-idene)-4'-(4-chloro-phen-yl)-1''-ethyl-1'-methyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione.

Project description:Two spiro links are found in the title compound, C31H28Cl3N3O2, one connecting the piperidine and pyrrolidine rings, and the other connecting the pyrrolidine ring and indole residue. The piperidine ring adopts a half-chair conformation, in which the C atom connected to the spiro-C atom lies 0.741 (3) Å out of the plane of the remaining five atoms (r.m.s. deviation = 0.053 Å). The pyrrolidine ring has an envelope conformation with the flap atom being the methyl-ene C atom. Centrosymmetric eight-membered {⋯HNCO}2 amide dimers are the most significant feature of the crystal packing. These are connected into layers parallel to (-120) by C-H⋯O and π-π inter-actions between pyrrolidine-bound benzene rings [inter-centroid distance = 3.8348 (15) Å]. Slipped face-to-face inter-actions between the edges of pyrrolidine-bound benzene [shortest C⋯C separation = 3.484 (4) Å] connect the layers into a three-dimensional architecture.

| S-EPMC4029214 | biostudies-literature

3,8-Dimethyl-acenaphthyl-ene-1,2-dione.

Project description:In the title compound, C(14)H(10)O(2), the acenaphthene-quinone core is essentially planar, with an r.m.s. deviation of 0.0140?Å. In the crystal, mol-ecules are connected by ?-? stacking inter-actions [centroid-centroid distances = 3.766?(3), 3.839?(3) and 3.857?(3)?Å], forming columns parallel to the a axis.

| S-EPMC3213570 | biostudies-literature

4'-(4-Bromo-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione.

Project description:In the title compound, C(30)H(22)BrNO(2), the cyclo-pentane ring of the dihydro-acenaphthyl-ene group and the pyrrolidine ring are both in envelope conformations with the spiro C atom and N atom, respectively, as the flap atom. The cyclo-pentane ring of the indane group adopts a half-chair conformation. A weak intra-molecular C-H⋯O hydrogen bond forms an S(8) ring motif. The naphthalene ring system of the dihydro-acenaphthyl-ene group forms dihedral angles of 41.76 (6) and 42.17 (6)° with the benzene ring of the bromo-phenyl group and the benzene ring of the indane group, respectively. The dihedral angle between the two benzene rings is 83.92 (7)°. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯N hydrogen bonds into a two-dimensional network parallel to the ac plane. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3344476 | biostudies-literature

1'-Methyl-4'-[4-(trifluoro-meth-yl)phen-yl]dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione.

Project description:In the title compound, C(31)H(22)F(3)NO(2), the pyrrolidine and cyclo-pentane rings within the dihydro-indene ring system are in envelope conformations, with the N atom and the spiro-C atom at the flap, respectively. An intra-molecular C-H?O hydrogen bond forms an S(8) ring motif. The mean plane through the pyrrolidine ring [r.m.s. deviation = 0.179?(2)?Å] makes dihedral angles of 86.30?(13), 88.99?(10) and 79.69?(11)° with the benzene ring, the dihydro-acenaphthyl-ene ring and the mean plane of the indane system, respectively. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds into a two-dimensional network parallel to the ac plane. C-H?? inter-actions further stabilize the crystal structure.

| S-EPMC3344443 | biostudies-literature

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