Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4-Chloro-phenyl-sulfon-yl)-5-(4-fluoro-phen-yl)-5-methyl-imidazolidine-2,4-dione.

ABSTRACT: The title compound, C(16)H(12)ClFN(2)O(4)S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The two mol-ecules are U-shaped with similar geometries and conformations. The mean planes through the benzene rings are inclined to one another by 6.07 (8)° in mol-ecule A and 8.67 (8)° in mol-ecule B. They are separated with a centroid-centroid distance of 3.9096 (10) Å in mol-ecule A and 3.9118 (10) Å in mol-ecule B. Mol-ecules A and B lie adjacent to one another, with a centroid-centroid distance of 3.7592 (10) Å between the fluoro-phenyl ring of mol-ecule A and the chloro-phenyl-sulfonyl ring of mol-ecule B and with a dihedral angle of 5.75 (8)° between the ring planes. In the crystal structure, A and B mol-ecules are linked by N-H⋯O hydrogen bonds, forming centrosymmetric dimers. These dimers stack along the [110] direction and are linked by C-H⋯O and C-H⋯F inter-actions. There are also some short halide⋯halide contacts [Cl⋯F = 3.0499 (14) and 3.1224 (13) Å, and F⋯F = 3.0612 (17) Å].

SUBMITTER: Hussain A

PROVIDER: S-EPMC2968985 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

5-(4-Fluoro-phen-yl)-5-methyl-imidazolidine-2,4-dione.

Project description:In the title compound, C(10)H(9)FN(2)O(2), the dihedral angle between the hydantoin unit and the benzene ring is 65.55 (5)°. The atoms in the hydantoin ring are coplanar, with a mean deviation of 0.015 Å and a maximum deviation of 0.075 (2) Å for one carbonyl O atom. N-H⋯O hydrogen bonds link the mol-ecules into one-dimensional chains, with one carbonyl group acting as a bifurcated acceptor and the other accepting no hydrogen bonds.

| S-EPMC2960434 | biostudies-literature

1-(4-Methoxy-phenyl-sulfon-yl)-5-methyl-5-phenyl-imidazolidine-2,4-dione.

Project description:The title compound, C(17)H(16)N(2)O(5)S, crystallized in the chiral monoclinic space group P2(1), with two enanti-omeric mol-ecules (A and B) in the asymmetric unit. It is composed of a methyl-imidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxy-phenyl-sulfonyl group. The benzene ring mean planes are inclined to one another by 22.20?(14)° in mol-ecule A and by 15.82?(13)° in mol-ecule B. In the crystal structure, the A and B mol-ecules are linked by N-H?O hydrogen bonds, forming centrosymmetric dimers. A number of C-H?O inter-actions are also present in the crystal structure, leading to the formation of a three-dimensinoal network.

| S-EPMC2969567 | biostudies-literature

3-[2-(4-Fluoro-phen-yl)-2-oxoeth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.

Project description:The title compound, C23H17FN2O3, crystallizes with two independent mol-ecules in the asymmetric unit. The mol-ecules are connected by pairs of N-H⋯O hydrogen bonds and have slightly different conformations, as indicated by the dihedral angles between the central imidazolidine-2,4-dione ring and its three substituents. In one mol-ecule, these are 60.56 (1) and 82.66 (9)° to the phenyl rings and 84.35 (16)° to the 2-(4-fluoro-phen-yl)-2-oxoethyl side chain. In the other mol-ecule, the corresponding angles are 66.35 (10), 84.94 (9) and 86.31 (16)°. In the crystal, weak C-H⋯O inter-actions leading to a three-dimensional supramolecular architecture.

| S-EPMC3998365 | biostudies-literature

1-(4-Methoxy-phen-yl)imidazolidine-2,4-dione.

Project description:In the title compound, C(10)H(10)N(2)O(3), the dihedral angle between the benzene and imidazolidine rings is 6.0?(4)°, consistent with an essentially planar mol-ecule. In the crystal, inter-molecular N-H?O hydrogen bonding between centrosymmetrically related mol-ecules leads to loosely associated dimeric aggregates. These are connected into a three-dimensional network by C-H?O inter-actions, as well as ?-? inter-actions [centroid-centroid distances = 3.705?(3) and 3.622?(3)?Å] between the imidazolidine and benzene rings.

| S-EPMC2979635 | biostudies-literature

3-Hy-droxy-methyl-1-(4-meth-oxy-phen-yl)imidazolidine-2,4-dione.

Project description:In the title mol-ecule, C(11)H(12)N(2)O(4), the dihedral angle between the benzene ring and imidazolidine ring is 7.1?(5)°. In the crystal structure, the hy-droxy groups are involved in the formation of inter-molecular O-H?O hydrogen bonds, which link the mol-ecules related by translation into C(2) chains along the b axis.

| S-EPMC3007295 | biostudies-literature

5-(4-Hy-droxy-phen-yl)imidazolidine-2,4-dione.

Project description:The title compound, C9H8N2O3, was prepared by reaction of phenol, glyoxylic acid and urea in water. The imidazolidine ring adopts an almost planar conformation (r.m.s. deviation = 0.012?Å) and is twisted by 89.3?(1)° relative to the benzene ring. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into a three-dimensional framework.

| S-EPMC4051111 | biostudies-literature

5-Chloro-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)ClFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 75.83 (5)° with the plane of the benzofuran fragment. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via an aromatic π-π inter-action between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.510 (2) Å].

| S-EPMC3007851 | biostudies-literature

Crystal structures of (S)-(+)-5-(3-bromo/chloro-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione.

Project description:In (S)-(+)-5-(3-bromo-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione, C13H15BrN2O3, (I), the hydantoin groups are connected via inter-molecular N-H⋯O hydrogen bonds, forming a terraced sheet structure. In the chloro analogue, (S)-(+)-5-(3-chloro-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione, C13H15ClN2O3, (II), the inter-molecular N-H⋯O hydrogen-bonding network forms a flat sheet. Comparison of the crystal structures reveals that (II) is more loosely packed than (I).

| S-EPMC4770946 | biostudies-literature

3-(4-Chloro-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:In the title compound, C(15)H(17)ClN(2)O(4)S, the atoms in the hydantoin ring are coplanar (r.m.s. deviation = 0.006?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-chloro-phenyl group with the plane passing through the hydantoin unit is 82.98?(4)°. The cyclo-hexyl ring adopts an ideal chair conformation.

| S-EPMC2977302 | biostudies-other

3-(4-Bromo-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:The crystal structure of the title compound, C(15)H(17)BrN(2)O(4)S, is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-bromo-phenyl group with the mean plane passing through the hydantoin unit is 83.29?(5)°. The cyclo-hexyl group adopts an ideal chair conformation with the methyl group in an equatorial position.

| S-EPMC2977264 | 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