Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1'-(4-Bromo-phen-yl)-4'-{4-[(2-oxo-1,2,3,4-tetra-hydro-naphthalen-2-yl-idene)meth-yl]phen-yl}-3'',4''-dihydro-acenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1H,2''H)-dione.

ABSTRACT: In the title compound, C(47)H(34)BrNO(3), the central benzene ring makes a dihedral angle of 42.71?(7)° with the bromo-phenyl ring. The pyrrolidine ring adopts an envelope conformation. The mol-ecular structure is stabilized by weak intra-molecular C-H?O inter-actions and the crystal packing is stabilized by weak inter-molecular C-H?? inter-actions.

SUBMITTER: Saravanan B

PROVIDER: S-EPMC3009035 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1'-(4-Bromo-phen-yl)-4'-{4-[(2-oxo-1,2,3,4-tetra-hydro-naphthalen-2-yl-idene)meth-yl]phen-yl}-3'',4''-dihydro-acenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1H,2''H)-dione.

Saravanan B B Rajesh R R Raghunathan R R Chakkaravarthi G G Manivannan V V

Acta crystallographica. Section E, Structure reports online 20101013 Pt 11

In the title compound, C(47)H(34)BrNO(3), the central benzene ring makes a dihedral angle of 42.71 (7)° with the bromo-phenyl ring. The pyrrolidine ring adopts an envelope conformation. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal packing is stabilized by weak inter-molecular C-H⋯π inter-actions. ...[more]

PMID: 21588996

Similar Datasets

1',1''-Dimethyl-4'-(naphthalen-1-yl)-1,2,3,4-tetra-hydro-naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione.

Project description:In the title compound, C(32)H(28)N(2)O(2), the pyrrolidine ring adopts an envelope conformation, whereas the cyclo-hexa-none ring in the tetra-hydro-naphthalene fused-ring system adopts a half-chair conformation. The oxindole ring system is oriented at an angle of 48.2 (1)° with respect to the naphthyl ring system. An intra-molecular C-H⋯O close contact is observed. In the crystal, mol-ecules associate via two C-H⋯O hydrogen bonds, forming R(2) (2)(14) and R(2) (2)(10) dimers.

| S-EPMC3099991 | biostudies-literature

1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione.

Project description:In the title compound, C(38)H(32)N(2)O(2), the pyrrolidine ring adopts an envelope conformation, whereas the cyclo-hexa-none ring in the tetra-hydro-naphthalene fused-ring system adopts a half-chair conformation. The benzyl ring is oriented at an angle of 67.1?(1)° with respect to the naphthyl ring system. Four intra-molecular C-H?O close contacts and C-H?? inter-action are observed. In the crystal, mol-ecules associate via C-H?O hydrogen bonds, forming a C(12) chain motif along the ac plane.

| S-EPMC3151757 | biostudies-literature

4'-(2,4-Dichloro-phen-yl)-1,1'-dimethyl-piperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-4,2''-dione.

Project description:In the title compound, C(23)H(23)Cl(2)N(3)O(2), the pyrroline ring adopts an envelope conformation and the piperidinone ring assumes a slightly twisted chair form. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate an R(2) (8) graph-set motif and a short Cl?Cl contact of 3.478?(1)?Å occurs.

| S-EPMC2983500 | 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

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'-Benzyl-4,4''-bis-(4-chloro-phen-yl)-3-(2,6-dichloro-phen-yl)-1''-methyl-4,5-dihydro-isoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''-spiro-3'''-indoline-2''',4'-dione.

Project description:The asymmetric unit of the title compound, C(43)H(34)Cl(4)N(4)O(3), contains two crystallographically independent mol-ecules. In both mol-ecules, the pyrrolidine ring adopts a twist conformation, the oxindole units are slightly distorted from planarity and the isoxazoline ring adopts an envelope conformation. The crystal structure is stabilized by N-H?O hydrogen-bonding inter-actions giving one-dimensional chain structures.

| S-EPMC2980235 | biostudies-literature

1-(4-Meth-oxy-phen-yl)pyrrolidine-2,5-dione.

Project description:In the title compound, C11H11NO3, the di-hydro-furan-2,5-dione ring has a shallow envelope conformation, with one of the methyl-ene C atoms displaced by 0.216?(1)?Å from the other atoms. These near-planar atoms subtend a dihedral angle of 55.88?(8)° with the benzene ring. In the crystal, C-H?O hydrogen bonds link the mol-ecules into [010] chains.

| S-EPMC3884492 | biostudies-literature

4-tert-Butyl-4'-(4-meth-oxy-phen-yl)-3'-(4-methyl-phen-yl)-1,2,3,4-tetra-hydro-spiro-[naphthalene-2,5'(4'H)-1,2-oxazol]-1-one.

Project description:In the title compound, C(30)H(31)NO(3), the tolyl ring is almost coplanar with the isoxazole ring [dihedral angle = 12.51 (7)°], whereas the meth-oxy-phenyl ring is almost perpendicular to the isoxazole ring [dihedral angle = 89.77 (5)°]. In the crystal, mol-ecules are connected through C-H⋯O hydrogen bonds, forming chains running along the a axis.

| S-EPMC3009094 | biostudies-literature

1-(2,4-Dinitro-phen-yl)-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazine.

Project description:In the title compound, C(14)H(14)N(4)O(4), the dihedral angle between the benzene rings is 10.42?(8)°. The nitro groups make dihedral angles of 5.3?(2) and 6.47?(15)° with their parent ring and are oriented at 11.2?(3)° with respect to each other. An intra-molecular N-H?O hydrogen bond completes an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O inter-actions, thus forming (010) chains in which R(2) (2)(13) ring motifs are present. There also exist aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.7046?(9)?Å].

| S-EPMC3007257 | biostudies-literature

(2E)-2-(Thio-phen-2-yl-methyl-idene)-1,2,3,4-tetra-hydro-naphthalen-1-one.

Project description:In the title compound, C(15)H(12)OS, the cyclo-hexene ring has a twisted boat conformation with the C atom between the ketone and methyl-ene atom and this methyl-ene C atom lying 0.280?(3) and 0.760?(3)?Å, respectively, from the plane through the remaining four atoms (r.m.s. deviation = 0.004?Å). The dihedral angle between the benzene and thio-phene rings [21.64?(9)°] indicates an overall twist in the mol-ecule. The thio-phene S and ketone O atoms are anti, an orientation that allows the close approach of these atoms [3.3116?(17)?Å] in the crystal structure and which leads to the formation of helical supra-molecular chains along the c axis.

| S-EPMC3394074 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data