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Ethyl 7'-(6-benz-yloxy-2,2-dimethyl-tetra-hydro-furo[3,2-d][1,3]dioxol-5-yl)-2-oxo-5',6',7',7a'-tetra-hydro-1'H,2H-spiro-[acenaphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole]-6'-carboxyl-ate.

ABSTRACT: In the title compound, C(34)H(35)NO(7)S, the acenaphthyl-ene unit is essentially planar (r.m.s. deviation = 0.0335 Å). The pyrrolo-thia-zole ring system is folded about the bridging N-C bond; the thia-zolidine and pyrrolidine rings adopt S- and C-envelope conformations, respectively, with a 'butterfly' angle between the mean planes of 51.38 (10)°. The dioxolane and tetra-hydro-furan rings adopt O- and a C-envelope conformations, respectively, with a 'butterfly' angle between the mean planes of 57.12 (10)°. Two C atoms are each disordered over two positions with site-occupancy factors of 0.450 (7) and 0.550 (7). The crystal packing is stabilized by C-H⋯O inter-actions, generating an R(2) (2)(14) graph-set ring motif.

SUBMITTER: Jagadeesan G

PROVIDER: S-EPMC3414958 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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'-Phenyl-5',6',7',7a'-tetra-hydro-dipiro[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

Project description:The asymmetric unit of the title compound, C(28)H(21)NO(3)S, contains two mol-ecules with similar geometries. The thia-zolidine rings adopt half-chair conformations while the pyrrolidine and the diketo-substituted five-membered carbocyclic rings are in envelope conformations with the spiro C atoms at the flaps. In one mol-ecule, the phenyl ring forms dihedral angles of 57.76?(12) and 71.79?(12)° with the fused benzene rings and the fused benzene rings form a dihedral angle of 57.75?(13)°. The corresponding dihedral angles in the other mol-ecule are 60.04?(12), 72.93?(12) and 54.51?(13)°. 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 via C-H?O and C-H?N hydrogen bonds into layers lying parallel to the ab plane.

| S-EPMC3238881 | 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?? inter-actions, which link the dimers into a supra-molecular chain along the b axis.

| S-EPMC3629526 | 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

1,3-Bis[2-hy-droxy-2-(6-meth-oxy-2,2-dimethyl-3a,5,6,6a-tetra-hydro-2H-furo[2,3-d][1,3]dioxol-5-yl)eth-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one.

Project description:In the title benzimidazolone, C(27)H(38)N(2)O(11), which has N-bound glycosidic units, all five-membered O-heterocyclic rings adopt envelope conformations [for the outer rings, the C atom with the dimethyl groups represents the flap atom]. The two glycosidic units are related by a non-crystallographic twofold rotation axis that passes through the carbonyl portion. In the mol-ecular structure, the hy-droxy groups are hydrogen-bond donors to the carbonyl O atom. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3275034 | biostudies-literature

2-Phenyl-5,6,7,8-tetra-hydro-imidazo[2,1-b][1,3]benzo-thia-zole.

Project description:The title compound, C15H14N2S, crystallizes with two independent mol-ecules in the asymmetric unit. The central imidazo[2,1-b][1,3]benzo-thia-zole unit is planar (r.m.s. deviations of 0.010 and 0.008?Å for the two independent mol-ecules). The fused tetra-hydro-hexane ring adopts a half-chair conformation. The phenyl substituent is twisted by 16.96?(13) and 22.89?(12)° relative to the central imidazo[2,1-b][1,3]benzo-thia-zole unit in the two mol-ecules. In the crystal, there are no significant intermolecular interactions present.

| S-EPMC4051062 | 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

6'-(1,3-Diphenyl-1H-pyrazol-4-yl)-7'-(1H-indol-3-ylcarbon-yl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetra-hydro-1'H-spiro-[indoline-3,5'-pyrrolo-[1,2-c][1,3]thia-zole]-7'-carbo-nitrile.

Project description:In the title compound, C41H32N6O2S, the pyrrolo-thia-zole ring system is folded about the bridging N-C bond. The thia-zolidine and pyrrolidine rings adopt envelope (with the fused C atom as the flap) and twisted conformations, respectively. The two phenyl rings attached to the pyrazole ring are twisted from the plane of the latter by 6.8 (1) and 52.8 (1)°. The allyl group is disordered over two conformations in a 0.805 (6):0.195 (6) ratio. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC3684939 | biostudies-literature

3-(6-Benz-yloxy-2,2-dimethyl-perhydro-furo[2,3-d][1,3]dioxol-5-yl)-5-(4-bromo-phen-yl)-2-phenyl-perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione.

Project description:In the title compound, C(31)H(29)BrN(2)O(7), the isoxazolidine ring adopts a twist conformation, while the tetrahydrofuran, dioxolone and pyrrole rings adopt envelope conformations. The structure is stabilized by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2977822 | biostudies-other

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

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