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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.

ABSTRACT: 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.

SUBMITTER: Wei AC

PROVIDER: S-EPMC3238931 | biostudies-literature | 2011 Dec

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.

Wei Ang Chee AC Ali Mohamed Ashraf MA Yoon Yeong Keng YK Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20111112 Pt 12

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 ...[more]

PMID: 22199780

Similar Datasets

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⋯π and π-π inter-actions [centroid-to-centroid distance = 3.4084 (8) Å] further stabilize the crystal structure.

| S-EPMC3297291 | 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.

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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.

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4'-(4-Bromo-phen-yl)-1'-methyl-dispiro-[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(27)H(20)BrNO(3), the pyrrolidine ring adopts a half-chair conformation, while the other five-membered rings adopt flattened envelope conformations with the spiro C atoms as the flap atoms. An intra-molecular C-H⋯O hydrogen bond occurs, generating an S(6) ring. In the crystal, mol-ecules are connected via weak C-H⋯O hydrogen bonds, forming chains along the c axis.

| S-EPMC3247508 | biostudies-literature

4'-(3-Bromo-phen-yl)-1'-methyl-dispiro-[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(27)H(20)BrNO(3), two intra-molecular C-H⋯O hydrogen bonds both form S(6) rings. The pyrrolidine ring adopts a twisted conformation about the C-C bond bearing the indane ring systems. The other two five-membered rings within the indane systems are in shallow envelope conformations, with the spiro C atoms as the flap atoms. The mean plane of the pyrrolidine ring [maximum deviation = 0.275 (1) Å] makes dihedral angles of 65.25 (7), 78.33 (6) and 75.25 (6)° with the bromo-substituted benzene ring and the mean planes of the mono- and dioxo-substituted indane rings, respectively. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds into a three-dimensional network. In addition, C-H⋯π inter-actions are observed.

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1'-Methyl-4'-[4-(trifluoro-meth-yl)phen-yl]dispiro-[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(28)H(20)F(3)NO(3), the pyrrolidine ring adopts a half-chair conformation. The other five-membered rings adopt envelope conformations with the spiro and methylene C atoms as the flap atoms. In the crystal, mol-ecules are connected via weak C-H⋯O hydrogen bonds, forming sheets parallel to the bc plane.

| S-EPMC3247509 | biostudies-literature

4'-[5-(4-Fluoro-phen-yl)pyridin-3-yl]-1'-methyl-dispiro-[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(32)H(23)FN(2)O(3), the pyrrolidine ring adopts an envelope conformation. The monoketo- and diketo-substituted five-membered rings are in envelope and half-chair conformations, respectively. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via inter-molecular C-H⋯N and C-H⋯O hydrogen bonds into a three-dimensional network. The crystal structure is further consolidated by C-H⋯π inter-actions.

| S-EPMC3200886 | biostudies-literature

1'-Methyl-4'-phenyldispiro-[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione.

Project description:The conformation of the title compound, C(27)H(21)NO(3), is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. The pyrrolidine ring adopts a half-chair conformation. Both of the other five-membered rings are in envelope conformations. No significant inter-molecular hydrogen bonds are observed.

| S-EPMC3200932 | biostudies-literature

4'-(4-Chlorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(27)H(20)ClNO(3), the two cyclo-pentane rings adopt envelope conformations. The pyrrolidine ring also adopts an envelope conformation (with the spiro C atom as the flap) and its least-squares plane (fitted to five atoms) makes dihedral angles of 66.50 (9), 77.36 (8) and 73.76 (8)° with the chloro-benzene ring and the two 2,3-dihydro-1H-indene ring systems, respectively. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into chains running parallel to the [001] direction.

| S-EPMC3200810 | biostudies-literature

2-Bromo-4-phenyl-1,3-thia-zole.

Project description:In the title mol-ecule, C9H6BrNS, the planes of the 2-bromo-1,3-thia-zole and phenyl rings are inclined at 7.45 (10)° with respect to each other. In the crystal, mol-ecules related by a centre of symmetry are held together via π-π inter-actions, with a short distance of 3.815 (2) Å between the centroids of the five- and six-membered rings. The crystal packing exhibits short inter-molecular S⋯Br contacts of 3.5402 (6) Å.

| S-EPMC3998304 | biostudies-literature

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