Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 2-[(3RS,4RS)-3-phenyl-4-(phenyl-sulfon-yl)isoxazolidin-2-yl]acetate.

ABSTRACT: In the title compound, C18H19NO5S, the five-membered isoxazolidine ring is in a half-chair conformation, and the phenyl rings are oriented at a dihedral angle of 66.53?(3)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular structure. A weak C-H?? inter-action is also observed between adjacent mol-ecules.

SUBMITTER: Gultekin Z

PROVIDER: S-EPMC4051012 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 2-[(3RS,4RS)-3-phenyl-4-(phenyl-sulfon-yl)isoxazolidin-2-yl]acetate.

Gültekin Zeynep Z Civan Mehmet M Frey Wolfgang W Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20140531 Pt 6

In the title compound, C18H19NO5S, the five-membered isoxazolidine ring is in a half-chair conformation, and the phenyl rings are oriented at a dihedral angle of 66.53 (3)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular structure. A weak C-H⋯π inter-action is also observed between adjacent mol-ecules. ...[more]

PMID: 24940296

Similar Datasets

4-(4-Methyl-phenyl-sulfon-yl)piperazin-1-ium tri-fluoro-acetate.

Project description:In the title salt, C11H17N2O2S(+)·CF3COO(-), the cation is protonated at the secondary piperazine N atom. The dihedral angle between the benzene ring and the piperazine mean plane is 85.54 (10)°. In the crystal, cations and anions are connected by two types of strong N-H⋯O hydrogen bonds into chains extending along [101]. The chains are further assembled into (10-1) layers via stacking inter-actions between benzene rings of the cations [centroid-centroid distance = 3.7319 (13) Å] and a C-H⋯O inter-action involving a piperazine C-H group and a sulfonyl O atom. Another C-H⋯O inter-action between the piperazine ring and the sulfonyl group connects the ions into a three-dimensional network.

| S-EPMC3770385 | biostudies-literature

N-(2-Nitro-phenyl-sulfon-yl)-N-(4-nitro-phenyl-sulfon-yl)methyl-amine.

Project description:In the crystal structure of the title compound, C(13)H(11)N(3)O(8)S(2), mol-ecules are linked by inter-molecular C-H?O hydrogen bonds into zigzag chains running parallel to the c axis. Centrosymmetrically related chains are further stabilized by aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.749?(3)?Å] involving adjacent 4-nitro-benzene rings. Intra-molecular C-H?O hydrogen bonds are also present.

| S-EPMC2959441 | biostudies-literature

N-[(3RS,4RS)-1-Benzyl-4-methyl-piperidin-3-yl]-5-nitro-1-phenyl-sulfonyl-1H-pyrrolo-[2,3-b]pyridine-4-amine.

Project description:The pyrrolo-pyridine system in the title compound, C(27)H(29)N(5)O(4)S, is oriented at a dihedral angle of 71.20?(5)° towards the phenyl ring of the tosyl residue and at a dihedral angle of 45.43?(4)° towards the benzyl group. The structure shows an intra-molecular N-H?O and a weak intra-molecular N-H?N hydrogen bond. The piperidine ring adopts a chair conformation, with the cis substituents displaying a torsion angle of -54.59?(18)°.

| S-EPMC3470400 | biostudies-literature

Methyl (R)-2-(2-chloro-phen-yl)-2-(3-nitro-phenyl-sulfon-yloxy)acetate.

Project description:The reaction between methyl (R)-2-(2-chloro-phen-yl)-2-hy-droxy-acetate and 3-nitro-benzene-sulfonyl chloride gave the title compound, C(15)H(12)ClNO(7)S, which is a promising inter-mediate for the synthesis of Clopidrogel, an anti-platelet drug used in the prevention of strokes and heart attacks. In the crystal, mol-ecules are linked through C-H?O interactions, and there is also a short Cl?O contact present [Cl?O = 3.018?(2)?Å].

| S-EPMC3379285 | biostudies-literature

N-(2-Methyl-phenyl-sulfon-yl)acetamide.

Project description:In the mol-ecular structure of the title compound, C(9)H(11)NO(3)S, the N-H and C=O bonds are anti to each other, while the amide H atom is syn with respect to the ortho-methyl group in the benzene ring. The C-S-N-C torsion angle is -58.2?(2)°, indicating a twist in the mol-ecule. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3089077 | biostudies-literature

4-Methyl-N-(4-methyl-phenyl-sulfon-yl)-N-phenyl-benzene-sulfonamide.

Project description:The whole mol-ecule of the title compound, C20H19NO4S2, is generated by twofold rotational symmetry. The N atom is located on the twofold rotation axis and has a trigonal-planar geometry. It is bonded by two S atoms of two symmetry-related 4-methyl-phenyl-sulfonyl groups and by the C atom of the phenyl ring, which is bis-ected by the twofold rotation axis. The benzene and phenyl rings are oriented at a dihedral angle of 51.48 (5)° while the pendant benzene rings are inclined to one another by 87.76 (9)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3998411 | biostudies-literature

N-(4-Methyl-phenyl-sulfon-yl)succinamic acid.

Project description:In the crystal structure of the title compound, C(11)H(13)NO(5)S, the amide C=O and the carboxyl C=O groups of the acid segment orient themselves away from each other. The dihedral angle between the benzene ring and the amide group is 69.0?(2)°. In the crystal, N-H?O and O-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3379445 | biostudies-literature

N-(4-Methyl-phenyl-sulfon-yl)maleamic acid.

Project description:In the title compound, C(11)H(11)NO(5)S, the dihedral angle between the benzene ring and the amide group is 76.88 (6)°. In the crystal, N-H⋯O(S) and O-H⋯O hydrogen bonds connect the mol-ecules into hydrogen-bonded layers perpendicular to the a axis.

| S-EPMC3414952 | biostudies-literature

1-(4-Methyl-phen-yl)-2-(phenyl-sulfon-yl)ethanone.

Project description:In the title compound, C(15)H(14)O(3)S, the benzene and phenyl rings make a dihedral angle of 33.56 (16)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into a layer parallel to the ab plane.

| S-EPMC3343995 | biostudies-literature

(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methyl-sulfon-yl)phen-yl]methyl acetate.

Project description:The structure of the title compound, C20H21NO6S, is of inter-est with respect to its anti-bacterial properties. The oxazolidine ring makes dihedral angles of 79.63?(14) and 56.16?(12)° with the phenyl and benzene rings, respectively, while the phenyl and benzene rings make a dihedral angle of 64.37?(13)°. In the crystal, non-classical C-H?O hydrogen bonds link adjacent mol-ecules along the c axis.

| S-EPMC4011233 | 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