Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(4-Hydroxy-phen-yl)methanaminium 2-(4-sulfanylphen-yl)acetate.

ABSTRACT: In the title mol-ecular salt, C(7)H(10)NO(+)·C(8)H(7)O(2)S(-), the crystal structure is stabilized by inter-molecular N-H?O, O-H?N and C-H?O hydrogen bonds.

SUBMITTER: Cai YJ

PROVIDER: S-EPMC2970201 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(4-Hydroxy-phen-yl)methanaminium 2-(4-sulfanylphen-yl)acetate.

Cai Ying-Jie YJ Dai Xi-Bin XB Liu Lian L Li Jin J Li Hai-Yan HY

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

In the title mol-ecular salt, C(7)H(10)NO(+)·C(8)H(7)O(2)S(-), the crystal structure is stabilized by inter-molecular N-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. ...[more]

PMID: 21577812

Similar Datasets

Tris(hy-droxy-meth-yl)methanaminium trifluoro-acetate.

Project description:In the crystal structure of the title salt, C(4)H(12)NO(3) (+)·C(2)F(3)O(2) (-), N-H?O and O-H?O hydrogen bonds link the ions, forming a complex three-dimensional network.

| S-EPMC3254416 | biostudies-literature

(4-Meth-oxy-phen-yl)methanaminium chloride.

Project description:In the crystal structure of the title salt, C(8)H(12)NO(+)·Cl(-), the methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s. deviation from the mean plane of only 0.005 Å. The ammonium N atom deviates from this plane by 1.403 (1) Å. In the crystal, the (4-meth-oxy-phen-yl)methan-aminium cations and chloride anions are linked by N-H⋯Cl and C-H⋯O hydrogen bonds, resulting in an open framework architecture with hydrogen-bonded ammonium groups and chloride anions located in layers parallel to (011), separated by more hydrophobic layers with interdigitating anisole groups.

| S-EPMC3051976 | biostudies-literature

Isopropyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Project description:In the title compound, C(20)H(20)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the plane of the benzofuran unit by 32.87?(8)°. The S-C(meth-yl) bond is almost perpendicular to the plane of the benzofuran fragment [77.8?(1)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds.

| S-EPMC2970158 | biostudies-literature

Methyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Project description:In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52?(6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90?(8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, and by inter-molecular C-H?? inter-actions between a methyl H atom of the methyl-sulfanyl substituent and the 4-hydroxy-phenyl ring.

| S-EPMC2970204 | biostudies-literature

Phenyl-methanaminium chloro-acetate.

Project description:In the title compound, C(7)H(10)N(+)·C(2)H(2)ClO(2) (-), the planar chloracetate ion [with a maximum deviation of 0.025?(3)?Å] is oriented at a dihedral angle of 31.07?(4)° with respect to the planar [maximum deviation of 0.022?(3)?Å] phenyl-methanaminium cation. In the crystal structure, inter-mol-ecular N-H?O hydrogen bonds link the mol-ecules into a network. A weak C-H?? inter-action is also present.

| S-EPMC2969526 | biostudies-literature

(5-Bromo-2-hydroxy-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C(13)H(9)BrO(2), the mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond. In the crystal structure, weak inter-molecular C-H?O hydrogen-bonding inter-actions link the mol-ecules into chains along the c-axis direction.

| S-EPMC2959262 | biostudies-literature

(5-Bromo-2-hydroxy-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C(13)H(9)BrO(2), the dihedral angle between the aromatic ring planes is 53.6?(1)°. The crystal structure is stabilized by intra-molecular O-H?O and inter-molecular C-H?O hydrogen bonding and C-H?? inter-actions.

| S-EPMC2960004 | biostudies-literature

(4-Chloro-phen-yl)methanaminium chloride hemihydrate.

Project description:In the title hydrated salt, C(7)H(9)ClN(+)·Cl(-)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. In the crystal, the monoprotonated 4-chloro-benzyl-ammonium cation forms N-H?Cl and N-H?O hydrogen bonds and the water mol-ecule forms O-H?Cl hydrogen bonds, generating layers lying parallel to the bc plane.

| S-EPMC3006684 | biostudies-other

1-(3,4-Dihydroxy-phen-yl)-2-(4-hydroxy-phen-yl)ethanone.

Project description:The title compound, C(14)H(12)O(4), is a deoxy-benzoin derivative in which the dihedral between the carbonyl group and the catechol unit is 5.99?(3)°. The dihedral angle between the two benzene rings is 60.26?(13)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds connect mol-ecules, forming a two-dimensional network. In addition, weak inter-molecular C-H?O hydrogen bonds and C-H?? contacts further stabilize the crystal structure.

| S-EPMC2980131 | biostudies-literature

Potassium 2-(N-hydroxy-carbamo-yl)acetate monohydrate.

Project description:The crystal structure of the title compound, K(+)·C(3)H(4)NO(4) (-)·H(2)O, consists of potassium cations, monoanions of 2-carboxy-acetohydroxamic acid [namely 2-(N-hydroxy-carbamo-yl)acetate] and solvent water mol-ecules. The elements of the structure are united in a three-dimensional network by numerous K?O coordinate bonds and O-H?O and N-H?O hydrogen bonds. The coordination sphere of the K(+) ions may be described as a distorted double capped octa-hedron. Bond lengths and angles are similar to those in related compounds.

| S-EPMC2970350 | 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