Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4'-Ferrocenyl-1'-methylacenapthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-indane-2,1'',3''(1H)-trione.

ABSTRACT: In the title compound, [Fe(C(5)H(5))(C(29)H(20)NO(3))], the acenaphthyl-ene ring system makes a dihedral angle of 83.77?(3)° with the indane-1,3-dione ring system. The central pyrrolidine ring exhibits a twist conformation. In the crystal, mol-ecules are linked by a weak inter-molecular C-H?O inter-action into a chain along the b axis. Two weak intra-molecular C-H?O inter-actions are also present.

SUBMITTER: Gunasekaran B

PROVIDER: S-EPMC2972181 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4'-Ferrocenyl-1'-methylacenapthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-indane-2,1'',3''(1H)-trione.

Gunasekaran B B Kathiravan S S Raghunathan R R Manivannan V V

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the title compound, [Fe(C(5)H(5))(C(29)H(20)NO(3))], the acenaphthyl-ene ring system makes a dihedral angle of 83.77 (3)° with the indane-1,3-dione ring system. The central pyrrolidine ring exhibits a twist conformation. In the crystal, mol-ecules are linked by a weak inter-molecular C-H⋯O inter-action into a chain along the b axis. Two weak intra-molecular C-H⋯O inter-actions are also present. ...[more]

PMID: 21578681

Similar Datasets

1'-Methyl-4'-(1-naphth-yl)-1'',2'',3'',4''-tetra-hydro-indane-2-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione.

Project description:In the title compound, C(32)H(25)NO(3), 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 indanedione unit is oriented at an angle of 58.9 (1)° with respect to the naphthyl ring system. Three intra-molecular C-H⋯O close contacts and an intra-molecular C-H⋯π inter-action are observed. In the crystal, mol-ecules associate via C-H⋯O hydrogen bonds, forming a helical chain with a C(10) motif along the b axis.

| S-EPMC3052033 | 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?? inter-actions are also observed.

| S-EPMC3344476 | 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

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

2-[1'-(Benz-yloxy)spiro-[indane-1,2'-pyrrolidine]-5'-yl]aceto-nitrile.

Project description:In the title compound, C21H22N2O, the planes of the two six-membered rings make a dihedral angle of 89.51?(7)°. The pyrrolidine ring has a puckering amplitude q 2 = 0.418?(3) and a pseudo-rotation phase angle ?2 = -166.8?(5), adopting a twist conformation (T). The other five-membered ring has a puckering amplitude q 2 = 0.247?(2) and a pseudo-rotation phase angle ?2 = -173.7?(5), adopting an envelope conformation with the CH2 atom adjacent to the C atom common with the pyrrolidine ring as the flap. In the crystal, mol-ecules are linked via C-H?N, enclosing R (2) 2(20) rings, forming chains propagating along [100]. The aceto-nitrile group is disordered over two positions and was refined with a fixed occupancy ratio of 0.56:0.44.

| S-EPMC3793706 | 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?? and ?-? [centroid-centroid distance = 3.6509?(11)?Å] inter-actions are also observed.

| S-EPMC2983396 | biostudies-literature

4-Ferrocenyl-1-methyl-3-benzoyl-spiro-[pyrrolidine-2,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C31H24N3O)], the pyrrolidine ring adopts a twist conformation. The pyrrolidine ring is almost perpendicular to the indeno-quinoxaline ring system, making a dihedral angle of 84.44?(5)°. The cyclo-penta-dienyl rings of the ferrocene moiety adopt an eclipsed conformation. The crystal packing features weak C-H?N and C-H?? inter-actions.

| S-EPMC3588807 | biostudies-other

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.

Project description: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.

| S-EPMC3009035 | biostudies-literature

1-Phenyl-4-(triphenyl-phosphanyl-idene)pyrrolidine-2,3,5-trione.

Project description:In the title compound, C(28)H(20)NO(3)P, the five-membered maleimide ring is almost planar. The inter-planar angles between the maleimide ring and the three P-bound phenyl rings are 70.6?(2), 60.4?(2) and 54.68?(18)°, while the dihedral angle between the maleimide ring and the N-bound phenyl group is 55.43?(19)°.

| S-EPMC2960848 | biostudies-literature

Triethyl-ammonium (indane-1,2,3-trione 1,2-dioximato-?(2)N(1),O(2))(indane-1,2,3-trione 2-oximato 1-oxime-?(2)N(1),O(2))nickel(II).

Project description:In the title compound, (C(6)H(16)N)[Ni(C(9)H(4)N(2)O(3))(C(9)H(5)N(2)O(3))], the Ni(II)ion is four-coordinated by two N atoms and two O atoms from two indane-1,2,3-trione-1,2-dioxime ligands. The two organic ligands are linked by an intra-molecular O-H?O hydrogen bond. In the crystal, mol-ecules are linked by N-H?O hydrogen-bonds.

| S-EPMC3343825 | biostudies-other

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