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7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)-methyl-idene]-1',3',5',6',7',7a'-hexa-hydro-dispiro-[acenaphthene-1,5'-pyrrolo-[1,2-c]thia-zole-6',3''-piperidine]-2(1H),4''-dione.

ABSTRACT: In the title compound, C(43)H(34)N(2)O(2)S, the six-membered piperidine ring adopts a half-chair conformation. The five-membered thia-zole ring adopts a slightly twisted envelope conformation and the pyrrole ring adopts an envelope conformation; in each case, the C atom linking the rings is the flap atom. The mol-ecular structure features inter- and intra-molecular C-H⋯O inter-actions. Furthermore, the crystal packing is stabilized by four inter-molecular C-H⋯π inter-actions.

SUBMITTER: Suresh J

PROVIDER: S-EPMC3297912 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5''-(4-Meth-oxy-benzyl-idene)-7'-(4-meth-oxy-phen-yl)-1''-methyl-5',6',7',7a'-tetra-hydro-dispiro-[acenaphthene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''-dione.

Project description:In the title compound, C(37)H(34)N(2)O(4)S, the piperidine ring adopts a half-chair conformation. The thia-zole ring adopts a slightly twisted envelope conformation and the pyrrole ring adopts an envelope conformation; in each case, the C atom linking the rings is the flap atom. An intra-molecular C-H⋯O inter-action is noted. The crystal structure is stabilized by C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3238875 | 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

7'-(4-Bromo-phen-yl)-5',6',7',7a'-tetra-hydro-dispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(28)H(20)BrNO(3)S, the thia-zolidine, pyrrolidine and two five-membered carbocyclic rings are in envelope conformations. The bromo-bound phenyl ring forms dihedral angles of 61.97 (18) and 88.30 (17)° with the other two benzene rings. The two benzene rings form a dihedral angle of 30.3 (2)°. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H⋯O hydrogen bonds.

| S-EPMC3238931 | biostudies-literature

7'-(2,5-Dimeth-oxy-phen-yl)-1',3',5',6',7',7a'-hexa-hydro-dispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(30)H(25)NO(5)S, all the five-membered rings are in envelope conformations with the spiro and methylene C atoms as the flap atoms. Intra-molecular C-H?O inter-actions stabilize the mol-ecular structure and form S(6) and S(7) ring motifs. The mean plane through the hexa-hydro-pyrrolo-[1,2-c]thia-zole ring [r.m.s deviation of 0.0393?(1)?Å] makes dihedral angles of 60.92?(5), 88.33?(4) and 84.12?(4)° with the terminal benzene ring and the mean planes of the mono and di-oxo substituted indan rings, respectively. Mol-ecules are linked by inter-molecular C-H?O inter-actions into a three-dimensional network. In addition, C-H?? and ?-? inter-actions [centroid-to-centroid distance = 3.4084?(8)?Å] further stabilize the crystal structure.

| S-EPMC3297291 | 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?? inter-action also occurs.

| S-EPMC3793825 | biostudies-other

(6'R*,7'R*)-7'-(1,3,-Diphenyl-1H-pyrazol-4-yl)-1,2,5',6',7',7a',3'',4''-octa-hydro-1'H,2''H-dispiro-[acenaphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-[1]benzopyran]-2,4''-dione.

Project description:In the title compound, C40H29N3O3S, the pyran ring adopts a sofa conformation, the thia-zolidine ring adopts a twisted conformation and the pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and forms dihedral angles of 4.8 (1) and 39.0 (1)°, respectively, with the benzene rings attached to the N and C atoms. The acenapthylene ring system is approximately planar [maximum deviation = 0.058 (2) Å] and forms dihedral angles of 85.9 (1) and 48.5 (1)°, respectively, with the pyrollothia-zole and chromene ring systems. The mol-ecular conformation is stabilized by three weak intra-molecular C-H⋯O hydrogen bonds, which generate one S(8) and two S(6) ring motifs. In the crystal, pairs of C-H⋯O hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R 2 (2)(14) ring motifs. The crystal packing also features pairs of C-H⋯π inter-actions, which link the dimers into a supra-molecular chain along the b axis.

| S-EPMC3629526 | biostudies-literature

7'-[4-(Trifluoro-meth-yl)phen-yl]-5',6',7',7a'-tetra-hydrodispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(29)H(20)F(3)NO(3)S, the thia-zolidine ringadopts a half-chair conformation. The pyrrolidine and two five-membered carbocyclic rings are in envelope conformations with the spiro C atoms at the flaps. The trifluoro-methyl-substituted benzene ring forms dihedral angles of 62.37 (14) and 87.40 (14)° with the benzene rings of the dihydro-1H-indene units. The two benzene rings form a dihedral angle of 36.94 (15)°. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal, mol-ecules are linked into inversion dimers by pairs of inter-molecular C-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs.

| S-EPMC3238947 | biostudies-literature

1'-(2-Chloro-phen-yl)-5,6,5',6',7',7a'-hexa-hydro-1'H,1''H-dispiro-[imidazo[2,1-b][1,3]thia-zole-2,2'-pyrrolizine-3'(2'H),3''-indole]-2'',3(2H,3''H)-dione.

Project description:In the title compound, C(24)H(21)ClN(4)O(2)S, the two adjacent spiro junctions link an almost planar (r.m.s. deviation = 0.017 Å) 2-oxindole ring, a hexa-hydro-1H-pyrrolizine ring and a tetra-hydro-imidazo[2,1-b]thia-zole ring. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds occur, generating an R(2) (2)(16) loop.

| S-EPMC2983913 | biostudies-literature

1-Methyl-1'-(4-methyl-phen-yl)-2',3',5',6',7',7a'-hexa-hydro-1'H-dispiro-[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione.

Project description:The title compound, C(26)H(29)N(3)O(2), crystallizes with two mol-ecules in the asymmetric unit, having C-H⋯O inter-actions between them and resulting in a dimer characterized by an R(2) (2)(11) motif. These dimers are linked into an ABABAB chain via N-H⋯O, N-H⋯N and C-H⋯O built edge-fused R(1) (2)(5) and R(2) (2)(7) motifs. This chain is linked to its inversion-related partner via N-H⋯O bonds with an R(2) (2)(8) motif and leads to a double chain extending along the b axis characterized by an R(6) (6)(36) motif across the inversion centres. The methyl group of the phenyl ring and the oxindole of mol-ecule A and B are involved in C-H⋯π inter-actions. One C atom of the pyrrolizine ring of mol-ecule A and its attached H atoms show positional disorder, the major and minor components being in the ratio 0.706 (7):0.294 (7).

| S-EPMC3435806 | biostudies-literature

7'-Phenyl-1',3',5',6',7',7a'-hexa-hydro-dipiro[acenaphthyl-ene-1,5'-pyrrolo-[1,2-c]thia-zole-6',2''-indane]-2,1''(1H)-dione.

Project description:In the title compound, C(31)H(23)NO(2)S, the pyrrolidine ring adopts an envelope conformation (with the spiro C atom as the flap), while the thia-zolidine ring and the two cyclo-pentane rings adopt twisted conformations. The mean plane through the hexa-hydro-pyrrolo-[1,2-c]thia-zole ring [r.m.s deviation = 0.400?(1)?Å] forms dihedral angles of 76.83?(4), 80.70?(5) and 79.00?(4)° with the benzene ring and the mean planes of the dihydro-acenaphthyl-ene and the dihydro-indene rings, respectively. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into sheets lying parallel to the bc plane. One of the ketone O atoms accepts three such bonds. Weak C-H?? inter-actions are also observed.

| S-EPMC3344191 | biostudies-other

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