Browse
Submit Data
Databases
API
Help

Dataset Information

47 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of methyl (2R,3S)-3-[(tert-butyl-sulfin-yl)amino]-2-fluoro-3-phenyl-propano-ate.

ABSTRACT: The title compound, C14H20FNO3S, contains two chiral carbon centres and the absolute configuration has been confirmed as (2R,3S). In the crystal, adjacent mol-ecules are linked by weak C-H⋯O hydrogen bonds, generating zigzag chains along the a-axis direction.

SUBMITTER: Zhao Z

PROVIDER: S-EPMC4719976 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of methyl (2R,3S)-3-[(tert-butyl-sulfin-yl)amino]-2-fluoro-3-phenyl-propano-ate.

Zhao Zhiwei Z Fan Wenqiang W Zhang Yixiang Y Li Ya Y

Acta crystallographica. Section E, Crystallographic communications 20151216 Pt 12

The title compound, C14H20FNO3S, contains two chiral carbon centres and the absolute configuration has been confirmed as (2R,3S). In the crystal, adjacent mol-ecules are linked by weak C-H⋯O hydrogen bonds, generating zigzag chains along the a-axis direction. ...[more]

PMID: 26870495

Similar Datasets

(2R,3S)-Methyl 2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-3-phenyl-propano-ate.

Project description:In the title mol-ecule, C(17)H(19)NO(5)S, the p-tolyl ring is oriented approximately parallel to the phenyl ring [dihedral angle = 17.2 (1)°], resulting in an intra-molecular π-π inter-ation [centroid-centroid distance = 3.184 (10) Å]. In the crystal, mol-ecules are linked through O-H⋯O and C-H⋯O hydrogen bonds, forming hydrogen-bonded sheets lying diagonally across the ac face.

| S-EPMC3011734 | biostudies-literature

(2R,6S)-tert-Butyl 2-(benzhydryl-carbamo-yl)-6-methyl-morpholine-4-carboxyl-ate.

Project description:The title compound, C(24)H(30)N(2)O(4), was obtained by the reaction of (2R,6S)-4-(tert-but-oxy-carbon-yl)-6-methyl-morpho-line-2-carb-oxy-lic acid with diphenyl-methanamine in dimethyl-formamide solution. The morpholine ring is in a chair conformation. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains along the b axis.

| S-EPMC3120296 | biostudies-literature

4-Nitro-phenyl 2-bromo-2-methyl-propano-ate.

Project description:In the title compound, C(10)H(10)BrNO(4), the planes of the carboxyl-ate and nitro groups are rotated by 60.53 (13) and 6.4 (3)°, respectively, to the benzene ring. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains parallel to the c axis.

| S-EPMC3051967 | biostudies-literature

5-Fluoro-3-(4-fluoro-phenyl-sulfin-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)F(2)O(2)S, the S=O and the 4-fluoro-phenyl groups are located on opposite sides of the plane of benzofuran ring system, and the 4-fluoro-phenyl ring is nearly perpendicular to the benzofuran plane with a dihedral angle of 89.93 (4)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonding and C-H⋯π inter-actions.

| S-EPMC3006853 | biostudies-literature

[4-(Di-tert-butyl-fluoro-silan-yl)phenyl]methanol.

Project description:The asymmetric unit of the title compound, C(15)H(25)FOSi, contains two independent mol-ecules. Each of the Si atoms approximates the expected tetra-hedral geometry with Si-F bond lengths of 1.6128 (11) and 1.6068 (11) Å in the two independent mol-ecules. In the crystal, supra-molecular chains along a are found mediated by O-H⋯O hydrogen bonds.

| S-EPMC3007959 | biostudies-literature

3-(4-Fluoro-phenyl-sulfin-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(11)FO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the 4-fluoro-phenyl ring is almost perpendicular to this plane [dihedral angle = 89.59 (5)°]. Inter-molecular C-H⋯F and C-H⋯O hydrogen bonds link the mol-ecules together in the crystal structure.

| S-EPMC2983520 | biostudies-literature

(2R*,6S*)-tert-Butyl 2,6-bis-(hydroxy-meth-yl)morpholine-4-carboxyl-ate.

Project description:In the title compound, C(11)H(21)NO(5), the H atoms of the hydr-oxy groups are disordered over two positions, each in a 1:1 ratio. In the crystal, inter-molecular O-H⋯O hydrogen bonds link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular O-H⋯O inter-actions further link these dimers into chains extended in the [100] direction.

| S-EPMC3006686 | biostudies-literature

(S,2S,3S)-2-(2-Methyl-propan-2-sulfin-amido)-3-phenyl-butyronitrile.

Project description:The absolute configuration has been determined for the title compound, C(14)H(20)N(2)OS. There are two independent mol-ecules in the asymmetric unit. Inter-molecular N-H⋯O hydrogen bonds are observed in the crystal packing, forming infinite chains with the base vectors [100] and [010]. Each chain contains only one of the two independent mol-ecules.

| S-EPMC2971363 | biostudies-literature

3-(3-Fluoro-phenyl-sulfin-yl)-2,4,6,7-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 78.30 (5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3120326 | biostudies-literature

3-(4-Fluoro-phenyl-sulfin-yl)-2,4,6,7-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(2)S, the 4-fluoro-phenyl ring is almost perpendicular to the benzofuran fragment [88.07 (5)°]. The crystal structure exhibits weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The mol-ecules form pseudo-helices along the a axis.

| S-EPMC2983659 | 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