Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[1-(4-Ethoxy-phen-yl)-2-oxo-4-styryl-azetidin-3-yl]isoindoline-1,3-dione.

ABSTRACT: The title compound, C(27)H(22)N(2)O(4), contains a nearly planar four-membered β-lactam ring, which makes dihedral angles of 74.64 (12), 1.70 (11) and 73.67 (12)° with the nine-membered ring system, the benzene ring and the phenyl ring, respectively. The crystal structure is stabilized by C-H⋯O and C-H⋯π inter-actions and a π-π inter-action [centroid-centroid distance = 3.4505 (19) Å] is also present.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC2961093 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

5,6-Dichloro-2-(3-methoxy-phen-yl)isoindoline-1,3-dione.

Project description:The title compound, C(15)H(9)Cl(2)NO(3), crystallizes as an inversion twin, the ratio of the twin components being 0.43?(13):0.57?(13). The isoindoline group is planar and inclined by 77.63?(3)° to the aromatic ring substituent. The crystal structure is stabilized by aromatic ?-? stacking inter-actions involving the benzene rings of adjacent isoindoline groups, with a centroid-centroid distance of 3.664?(7)?Å and an inter-planar separation of 3.409?Å.

| S-EPMC2961109 | biostudies-literature

2-{[(4-Methoxy-phen-yl)dimethyl-silyl]meth-yl}isoindoline-1,3-dione.

Project description:In the course of our studies of silicon-containing anti-cancer compounds, the title compound, C(18)H(19)NO(3)Si, was synthesized. The mol-ecular geometry including bond distances and angles involving the Si atoms are typical. Torsion angles associated with the isoindoline ring and the silyl group [C-N-C(methyl-ene)-Si = 90.5?(2) and -93.1?(2)°] indicate that there is no inter-action between the O and Si atoms despite silicon's high affinity for oxygen.

| S-EPMC2980072 | biostudies-literature

4,5,6,7-Tetra-chloro-2-(4-fluoro-phen-yl)isoindoline-1,3-dione.

Project description:The title compound, C(14)H(4)Cl(4)FNO(2), has crystallographic twofold symmetry with the N and F atoms and two C atoms of the benzene ring located on a twofold rotation axis. The isoindole-dione ring system is almost planar [maximum atomic deviation = 0.036 (3) Å], and is twisted with respect to the florobenzene ring, making a dihedral angle of 58.56 (16)°. Weak inter-molecular C-H⋯Cl hydrogen bonding is present in the crystal structure.

| S-EPMC3006924 | biostudies-literature

2-(2-Iodo-phen-yl)isoindoline-1,3-dione.

Project description:In the title compound, C(14)H(8)INO(2), the dihedral angle between the isoindole ring and the phenyl ring of the 1-iodo-benzene group is 84.77?(15)°. There is a short inter-molecular I?O contact of 3.068?(3)?Å in the crystal.

| S-EPMC3099802 | biostudies-other

2-(3-Bromo-prop-yl)isoindoline-1,3-dione.

Project description:In the title compound, C(11)H(10)BrNO(2), the dihedral angle between the five- and six-membered rings of the phthalamide system is 1.00?(16)°. There are no significant inter-molecular inter-ations except for van der Waals contacts.

| S-EPMC2971232 | biostudies-literature

2-(2-Bromo-eth-yl)isoindoline-1,3-dione.

Project description:The asymmetric unit of the title compound, C(10)H(8)BrNO(2), contains three crystallographically independent mol-ecules. Two of the N-C-C-Br side chains adopt anti conformations [torsion angles = -179.8?(5) and -179.4?(4)°] and the other is gauche [-66.5?(6)°]. The crystal structure features short Br?O [3.162?(5)?Å] contacts, C-H?O hydrogen bonds and numerous ?-? stacking inter-actions [centroid-centroid separations = 3.517?(4)-3.950?(4)?Å].

| S-EPMC3247571 | biostudies-literature

2-[2-(Methyl-sulfon-yl)eth-yl]isoindoline-1,3-dione.

Project description:In the mol-ecule of the title compound, C(11)H(11)NO(4)S, the isoindoline ring system is almost planar with a maximum deviation of 0.008?(3)Å. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into a three-dimensional network. ?-? contacts between the isoindoline rings [centroid-centroid distances = 3.592?(1) and 3.727?(1)?Å] may further stabilize the structure.

| S-EPMC2977474 | biostudies-literature

2-[2-(Trimethyl-silyl)eth-yl]isoindoline-1,3-dione.

Project description:In the course of our studies of silicon-containing anti-cancer compounds, the title compound, C(13)H(17)NO(2)Si, was synthesized. The geometrical parameters including the geometry about the Si atom are typical. The mol-ecules form dimers via a weak C-H?O inter-action described by the graph set R(2) (2)(10). The dimers are assembled in rows stacked in the crystallographic b-axis direction via ?-? inter-actions with a 3.332?(3)?Å separation between the rows.

| S-EPMC2980030 | biostudies-literature

2-[(3S)-5-Oxooxolan-3-yl]isoindoline-1,3-dione.

Project description:The oxolan-2-one ring in the title compound, C(12)H(9)NO(4), has an envelope conformation with the atom linking the two five-membered rings being the flap atom.

| S-EPMC3254364 | biostudies-literature

1,3-Bis(2-ethoxy-phen-yl)triazene.

Project description:The title compound, C(16)H(19)N(3)O(2), exhibits a trans geometry about the N=N double bond in the triazene unit in the solid state, and individual mol-ecules are close to planar with r.m.s. deviations from planarity of 0.065 Å and 0.242 Å for the two independent molecules in the asymmetric unit. Distinct inter-molecular N-H⋯N hydrogen bonds lead to the formation of dimers with an R(2) (2)(8) graph-set motif. The steric demands of the eth-oxy groups in the ortho position prevent a coplanar arrangement of the two mol-ecules in the dimers and these instead consist of two inter-locked mol-ecules that are related by a non-crystallographic pseudo-twofold rotation axis. Weak C-H⋯π inter-actions between the CH groups and the aromatic phenyl rings also occur.

| S-EPMC2969009 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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