Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(S)-Benzyl 2-amino-3-(4-hydroxy-phen-yl)propanoate.

ABSTRACT: The title compound, C(16)H(17)NO(3), adopts a folded conformation in the crystal structure. The crystal packing is stabilized by inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions. The absolute configuration was assigned assuming that the absolute configuration of the starting material l-tyrosine was retained during the synthesis.

SUBMITTER: Luo SN

PROVIDER: S-EPMC2968268 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(S)-Benzyl 2-amino-3-(4-hydroxy-phen-yl)propanoate.

Luo Shu-Na SN Chen Lu L Gao Yu-Xing YX Xu Peng-Xiang PX Zhao Yu-Fen YF

Acta crystallographica. Section E, Structure reports online 20090110 Pt 2

The title compound, C(16)H(17)NO(3), adopts a folded conformation in the crystal structure. The crystal packing is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen-bonding inter-actions. The absolute configuration was assigned assuming that the absolute configuration of the starting material l-tyrosine was retained during the synthesis. ...[more]

PMID: 21581884

Similar Datasets

Bis[4-(2-hydroxy-benzyl-amino)phen-yl] ether.

Project description:The title compound, C(26)H(24)N(2)O(3), was synthesized by reduction of the corresponding Schiff base. The mol-ecule does not possess crystallographic or non-crystallographic symmetry. The dihedral angle between the oxygen-bridged benzene rings is 67.98?(8)°. Both hydroxyl groups are involved in O-H?O intra-molecular hydrogen bonding. The mol-ecules are linked into a two-dimensional network parallel to the (010) plane by N-H?O hydrogen bonds.

| S-EPMC2960403 | biostudies-literature

Isopropyl 3-(3,4-dihydroxy-phen-yl)-2-hydroxy-propanoate.

Project description:The title compound, C(12)H(16)O(5), is a derivative of ?-(3,4-dihydroxy-phen-yl)-?-hydr-oxy acid. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds.

| S-EPMC2979231 | biostudies-literature

Ethyl 3-[(3,5-dimethyl-phen-yl)amino-carbon-yl]propanoate.

Project description:The non-H atoms in the title compound, C(14)H(19)NO(3), lie on a mirror plane. The amide O and ester carbonyl O atoms are trans to each other. Furthermore, the C=O and O-CH(2) bonds of the ester group are syn with respect to each other. In the crystal, mol-ecules are packed into centrosymmetric dimers through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2977476 | biostudies-literature

2-((E)-{2-[(1E)-(2,4-Dihydroxy-benzyl-idene)amino]phen-yl}iminiometh-yl)-5-hydroxy-phenolate methanol solvate.

Project description:The asymmetric unit of the title compound, C(20)H(16)N(2)O(4)·CH(3)OH, contains two Schiff base zwitterions and two methanol solvent mol-ecules. The dihedral angles between the central benzene ring and the two outer benzene rings of the Schiff base are 2.57?(7) and 52.30?(7)° in one mol-ecule and 5.83?(7) and 49.82?(7)° in the other mol-ecule. Intra-molecular O-H?N and N-H?O hydrogen bonds generate S(6) ring motifs, whereas intra-molecular N-H?N hydrogen bonds generate S(5) ring motifs. In the crystal structure, O-H?O, hydrogen bonds and weak C-H?O inter-actions link the mol-ecules into one-dimensional chains along the b-axis direction and are further connected by O-H?O and weak C-H?O inter-actions into a three-dimensional network. C-H?? and ?-? inter-actions [centroid-centroid distances = 3.6228?(9) and 3.6881?(9)?Å] are also observed in the crystal structure.

| S-EPMC2961737 | biostudies-literature

{5-Chloro-2-[(4-chloro-benzyl-idene)-amino]-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)Cl(2)NO, the C=N bond adopts an E conformation. The chloro-substituted rings form a dihedral angle of 11.99?(9)° with each other and form dihedral angles of 74.95?(9) and 83.26?(10)° with the unsubstituted ring. In the crystal, mol-ecules are connected into dimers by pairs of weak C-H?O hydrogen bonds and the dimers are arranged in columns parallel to the a axis.

| S-EPMC3295436 | biostudies-literature

{2-[(3-Bromo-benzyl-idene)amino]-5-chloro-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)BrClNO, the azomethine double bond [C=N = 1.246?(4)?Å] adopts an E conformation. The bromo- and chlorophenyl rings are inclined to one another by 13.70?(11)°, and form dihedral angles of 76.68?(10) and 74.24?(7)°, respectively, with the phenyl ring. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds to form double stranded chains propagating along the b-axis direction.

| S-EPMC3295437 | biostudies-literature

Bis[2-(benzyl-idene-amino)-phen-yl] disulfide.

Project description:In the title mol-ecule, C(26)H(20)N(2)S(2), the two benzene rings connected by a disulfide chain form a dihedral angle of 84.9 (1)°, and the two benzene rings in the two benzyl-idene-amino-phenyl fragments form dihedral angles of 34.4 (1) and 32.8 (1)°. The crystal structure exhibits weak inter-molecular C-H⋯S hydrogen bonds, which link the mol-ecules into chains along [101].

| S-EPMC3239009 | biostudies-literature

{2-[(S)-({2-[(S)-1-Benzyl-pyrrolidine-2-carboxamido]phen-yl}(phen-yl)methyl-ene)amino]-4-hydroxy-butanoato-?N,N',N'',O}nickel(II).

Project description:The central Ni atom of the title compound, [Ni(C(29)H(29)N(3)O(4))], is coordinated by three N atoms [Ni-N = 1.955?(2), 1.844?(2) and 1.872?(2)?Å] and by one O atom [Ni-O = 1.862?(2)?Å] in a pseudo-square-planar geometry. The conformation of the hydroxy-butanoate side chain is controlled by a strong intra-molecular hydrogen bond (H?O = 1.84?Å).

| S-EPMC2960276 | biostudies-literature

{5-Chloro-2-[(2-hy-droxy-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

Project description:The title Schiff base compound, C(20)H(14)ClNO(2), adopts an E configuration about the azomethine bond. The phenol and chloro-benzene rings form dihedral angles of 84.71?(9) and 80.70?(8)°, respectively, with the phenyl ring and are twisted by 15.32?(8)° with respect to one another. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming columns parallel to the a axis.

| S-EPMC3239075 | biostudies-literature

Bis[4-(2-hydroxy-ethyl-amino)phen-yl] sulfone.

Project description:The title compound, C(16)H(20)N(2)O(4)S, exhibits a V-shape structure with a dihedral angle of 77.5?(11)° formed by the two benzenel rings. The mol-ecular packing is stabilized by intra-molecular and inter-molecular hydrogen bonds as well as ?-? [3.738?(3)?Å] and C-H?? inter-actions.

| S-EPMC2915238 | 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