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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.

ABSTRACT: 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.

SUBMITTER: Vishnupriya R

PROVIDER: S-EPMC3793784 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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''-(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''-(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.

Project description: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].

| S-EPMC3588924 | 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

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

1''-Allyl-5''-(4-meth-oxy-benzyl-idene)-7'-(4-methoxy-phen-yl)-1',3',5',6',7',7a'-hexa-hydro-dispiro-[ace-naphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''(1H)-dione.

Project description:In the title compound, C39H36N2O4S, the piperidine ring adopts a twisted half-chair conformation. In the pyrrolo-thia-zole fused-ring system, the pyrrole ring adopts an envelope conformation (with the C atom bound to the thia-zole ring being the flap atom) and the thia-zole ring also exhibits an envelope conformation (with the N atom bound to the pyrrole ring as the flap). The mol-ecular structure features a weak intra-molecular C-H⋯O inter-action. In the crystal, a C-H⋯O inter-action forms a linear chain along the diagonal of the ac plane, generating a C(14) graph-set motif. A weak C-H⋯π inter-action also occurs.

| S-EPMC3793825 | biostudies-literature

5-(4-Fluoro-benzyl-idene)-4'-(4-fluoro-phen-yl)-1,1'-dimethyl-dispiro-[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione.

Project description:The asymmetric unit of the title compound, C(30)H(27)F(2)N(3)O(2), contains two independent mol-ecules. The pyrrolidine five-membered ring assumes an envelope conformation (with the CH(2) atom at the flap) in one mol-ecule and a twisted conformation in the other one. In both independent mol-ecules, the 4-piperidinone rings adopt a similar twisted chair conformation. In the crystal, the two independent mol-ecules form an R(2) (2)(8) dimer through a pair of N-H⋯O hydrogen bonds; the R(2) (2)(8) dimers are connected via weak C-H⋯O hydrogen bonds, leading to a chain extending along the c axis.

| S-EPMC3470200 | biostudies-literature

5''-(4-Nitro-benzyl-idene)-7'-(4-nitro-phen-yl)-1''-methyl-1',3',5',6',7',7a'-hexa-hydro-dispiro-[ace-naphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''(1H)-dione including an unknown solvate.

Project description:The title compound, C35H28N4O6S, crystallizes with two mol-ecules in the asymmetric unit. In both mol-ecules, the piperidine ring adopts a shallow-chair conformation, the thia-zole ring adopts a twisted conformation about the Cm-N bond (m = methine) and the pyrrole ring adopts an envelope conformation with the C atom shared with the thia-zole ring as the flap. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R 2 (2)(34) loops for one of the asymmetric mol-ecules. Further C-H⋯O links also involving the other mol-ecule lead to a three-dimesional network. The contribution of the highly disordered solvent to the scattering was removed with SQUEEZE option of PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. The solvent contribution is not included in the reported mol-ecular weight and density.

| S-EPMC3793718 | biostudies-literature

Crystal structure of 1,2-di-benzoyl-ace-naphthyl-ene.

Project description:The title mol-ecule, C26H16O2, crystallizes as a mol-ecular crystal with no strong inter-molecular inter-actions (the shortest C-H⋯O contact is longer than 3.4 Å). Two flat ace-naphthyl-ene groups of neigboring 1,2-di-benzoyl-ace-naphthyl-ene mol-ecules are related by a crystallographic center of symmetry and are stacked with the distance between their mean planes of 3.37 (1) Å, apparently making an optimal close packing for these bulky aromatic moieties. Both carbonyl groups are oriented towards the same side of the planar ace-naphthyl-ene. The angles between the flat ace-naphthyl-ene group and the benzoyl groups are 62.6 (1) and 57.8 (1)°. Because rotation of the benzoyl groups is sterically hindered, we expect that the mol-ecules will remain locked in this 'pseudo-cis' orientation in solution. As a result, reduction of 1,2-di-benzoyl-ace-naphthyl-ene at low temperature with sodium di-thio-nite yields the cis-isomer of 1,2-dibenzoyl-1,2-di-hydro-ace-naphthyl-ene, which is sterically favorable. This isomer is thermodynamically less favorable than the trans isomer, but it converts to the more stable isomer only on long-term heating (Greenberg & Schenendorf (1980 ▸).

| S-EPMC4518958 | biostudies-literature

3''-(2-Fluoro-benzyl-idene)-4'-(2-fluoro-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',1''-cyclo-penta-ne]-2,2''-dione.

Project description:In the title compound, C(33)H(25)F(2)NO(2), the acenaphthene ring system forms dihedral angles of 50.93 (14) and 36.89 (14)° with the benzene rings. The pyrrolidine and cyclo-penta-none rings adopt envelope (with the N atom as the flap) and twisted conformations, respectively. In the crystal, C-H⋯O and C-H⋯F inter-actions link the mol-ecules.

| S-EPMC3569782 | biostudies-literature

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