Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4'-(4-Bromo-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione.

ABSTRACT: 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?? inter-actions are also observed.

SUBMITTER: Wei AC

PROVIDER: S-EPMC3344476 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4'-(4-Bromo-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione.

Wei Ang Chee AC Ali Mohamed Ashraf MA Choon Tan Soo TS Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

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 be ...[more]

PMID: 22590238

Similar Datasets

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

3,8-Dimethyl-acenaphthyl-ene-1,2-dione.

Project description:In the title compound, C(14)H(10)O(2), the acenaphthene-quinone core is essentially planar, with an r.m.s. deviation of 0.0140?Å. In the crystal, mol-ecules are connected by ?-? stacking inter-actions [centroid-centroid distances = 3.766?(3), 3.839?(3) and 3.857?(3)?Å], forming columns parallel to the a axis.

| S-EPMC3213570 | biostudies-literature

1'-Methyl-4'-(4-methyl-phen-yl)dispiro-[indane-2,3'-pyrrolidine-2',3''-indoline]-1,2''-dione.

Project description:In the title mol-ecule, C(27)H(24)N(2)O(2), the pyrrolidin-2-one ring is almost planar (r.m.s. deviation = 0.003 Å), the pyrrolidine ring has an envelope conformation (the N atom is the flap atom) and the cyclo-penta-none ring is twisted about the C(q)-C(m) bond (q = quaternary and m = methylene). The ketone O atoms are directed to opposite sides of the mol-ecule. Supra-molecular chains along the a axis are formed in the crystal packing mediated by N-H⋯N and C-H⋯O inter-actions. These are connected into layers in the ab plane via C-H⋯π inter-actions.

| S-EPMC3393996 | 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

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

rac-Methyl (1R,3'S)-1',1''-dimethyl-2,2''-dioxo-2H-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C(26)H(22)N(2)O(4), the pyrrolidine ring adopts a twisted conformation and the other five-membered rings adopt envelope conformations with the spiro C atoms as the flap atoms. The naphthalene ring system of the dihydro-acenaphthyl-ene group forms dihedral angles of 89.2 (9) and 75.5 (6)° with the pyrrolidine and indole rings, respectively. The pyrrolidine ring makes a dihedral angle of 80.1 (9)° with the indole ring. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming chains along the b-axis direction.

| S-EPMC3569768 | biostudies-literature

(4S)-4-(3,4-Dichloro-phen-yl)-1'-methyl-4'-phenyl-3,4-dihydronaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-1''-acenaphthyl-ene-1,2''(2H,1''H)-dione.

Project description:In the title compound, C(37)H(27)Cl(2)NO(2), the 3,4-dichloro-phenyl ring makes a dihedral angle of 46.66 (6)° with the phenyl ring. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions. The C-C-C-C-C five-membered ring is planar, while the C-C-C-C-N five-membered ring adopts a half-chair conformation.

| S-EPMC2961525 | biostudies-literature

5,6-Dimeth-oxy-4',5'-diphenyl-indane-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione.

Project description:In the title compound, C(33)H(28)N(2)O(4), the central pyrrolidine ring adopts a half-chair conformation. Both the indolinone and indanone groups are twisted, with their five-membered rings adopting a half-chair and an envelope conformation, respectively. The two benzene rings and the mean plane of the indolinone and indanone groups make dihedral angles of 71.98 (10), 84.32 (10), 86.26 (9) and 78.50 (9)°, respectively, with the central pyrrolidine ring. Intra-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular conformation. In the crystal, pairs of inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The dimers are inter-connected into ribbons propagating along [110] via weak inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π and π-π [centroid-centroid distance = 3.6509 (11) Å] inter-actions are also observed.

| S-EPMC2983396 | biostudies-literature

4'-(4-Fluoro-phen-yl)-1'-methyl-dispiro-[indane-2,2'-pyrrolidine-3',2''-indane]-1,3,1''-trione methanol hemisolvate.

Project description:The asymmetric unit of the title compound, C29H24FNO5·0.5CH3OH, contains two independent mol-ecules and a one methanol solvent mol-ecule. The methanol mol-ecule is O-H?O hydrogen bonded to one of the independent mol-ecules. The pyrrolidine rings in both mol-ecules adopt half-chair conformations, while the cyclo-pentane rings within the indane groups are in flattened envelope conformations, with the spiro C atoms forming the flaps. The benzene rings of the indane ring systems form a dihedral angle of 35.06?(7)° in one independent mol-ecule and 31.16?(8)° in the other. The fluoro-substituted benzene ring forms dihedral angles of 65.35?(6) and 85.87?(7)° with the indane group benzene rings in one mol-ecule, and 72.78?(8) and 77.27?(8)° in the other. In each mol-ecule, a weak intra-molecular C-H?O hydrogen bond forms an S(6) ring motif. In the crystal, weak C-H?O, C-H?N and C-H?F hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3648276 | biostudies-literature

(11aS)-7-Bromo-2,3,5,10,11,11a-hexa-hydro-1H-pyrrolo-[2,1-c][1,4]benzodiazepine-3,11-dione.

Project description:The title compound, C(12)H(11)BrN(2)O(2), was prepared by an intra-cyclization reaction of (S)-1-(5-bromo-2-nitro-benz-yl)-5-oxopyrrolidine-2-carb-oxy-lic acid methyl ester in the presence of EtOH/Fe. The five-membered pyrrolidinone ring adopts an approximate envelope conformation, while the seven-membered diazepanone ring displays a twisted boat conformation. Inter-molecular classical N-H?O hydrogen bonds and weak C-H?O inter-actions help to stabilize the crystal structure.

| S-EPMC3254472 | 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