Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Absolute configuration of (2S)-4-(4-hy-droxy-phen-yl)butan-2-ol.

ABSTRACT: The title compound, C(10)H(14)O(2), was isolated from the chloro-form extract of Taxus wallichiana Zucc. In the crystal, mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds, forming sheets parallel to (100). There are weak inter-molecular C-H⋯π inter-actions between the sheets.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3099928 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

4-(4-Hy-droxy-phen-yl)butan-2-one.

Project description:In the title compound, C(10)H(12)O(2), the substituted benzene ring is inclined at a dihedral angle of 75.9?(1)° to the almost planar butan-2-one substituent (r.m.s. deviation = 0.02?Å). In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along the a axis.

| S-EPMC3120435 | biostudies-literature

Crystal structure of [(2S,3R)-3-hy-droxy-3-phenyl-butan-2-yl]pyrrolidinium chloride.

Project description:In the title mol-ecular salt, C14H22NO(+)·Cl(-), the pyrrolidinium ring adopts a twisted conformation about one of the N-C bonds. It is oriented at a dihedral angle of 42.0 (1)° with respect to the benzene ring. The torsion angle for the central N-C-C-Car (ar = aromatic) linkage is 163.74 (15)°. In the crystal, the components are linked via N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming zigzig chains along the b-axis direction. These chains are connected along the c axis by very weak C-H⋯π inter-actions, forming a two-dimensional supra-molecular network.

| S-EPMC4647393 | biostudies-literature

Redetermination and absolute configuration of 7?-hy-droxy-royleanone.

Project description:THE TITLE COMPOUND [SYSTEMATIC NAME: 7?,12-dihy-droxy-8,12-abietadiene,11,14-dione or (4bS,8aS,10R)-3,10-dihy-droxy-2-isopropyl-4b,8,8-trimethyl-1,4,4b,5,6,7,8,8a,9,10-deca-hydro-phenanthrene-1,4-dione], C(20)H(28)O(4), is an abietane diterpen-oid, which was isolated from the roots of Premna obtusifolia (Verbenaceae). Its crystal structure has been reported previously [Chen et al. (2000 ?). Jiegou Huaxue, 19, 122-125], but the absolute configuration could not be determined using data collected with Mo radiation. This redetermination using Cu radiation shows the the absolute configurations of the stereogenic centres at positions 4b, 8a and 10 to be S, S and R, respectively. Two intra-molecular O-H?O hydrogen bonds [one generating an S(5) ring and one generating an S(6) ring] and a number of short C-H?O contacts occur. In the crystal, mol-ecules are linked into infinite chains propagating in [100] by O-H?O hydrogen bonds and weak C-H?O inter-actions.

| S-EPMC3006754 | biostudies-literature

2-(Hy-droxy-meth-yl)pyridin-3-ol.

Project description:In the crystal structure of the title compound, C(6)H(7)NO(2), the mol-ecules are are linked by inter-molecular O-H?N and O-H?O hydrogen bonds; ?-? stacking is observed between parallel pyridine rings of adjacent mol-ecules [centroid-to-centroid distance = 3.7649?(12)?Å].

| S-EPMC3295493 | biostudies-literature

1-[(E)-2-(5-tert-Butyl-2-hy-droxy-phen-yl)diazen-1-yl]naphthalen-2-ol.

Project description:The non-H atoms of the title compound, C20H20N2O2, is located on a mirror plane except two methyl groups of the tert-butyl group. Intra-molecular N-H⋯O hydrogen bonds exist between the hy-droxy and diazenyl groups. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains running along the a-axis direction.

| S-EPMC3998364 | biostudies-literature

(E)-4-Hy-droxy-2-[(2-hy-droxy-phen-yl)iminiometh-yl]phenolate.

Project description:The title compound, C(13)H(11)NO(3), crystallizes in a zwitterionic form and has a trans configuration about the C=N bond. The mol-ecule is almost planar, the dihedral angle between the two benzene rings being 4.32?(8)°. The two hy-droxy substit-uents are coplanar with each of their attached benzene rings [r.m.s. deviations of 0.0053?(2) and 0.0052?(2)?Å]. An intra-molecular N-H?O hydrogen bond formed between the iminium N and the phenolate O atom generates an S(6) ring motif. In the crystal, the mol-ecules are linked through O-H?O hydrogen bonds into chains along [110]. Two neighbouring chains are further connected through O-H?O hydrogen bonds in an anti-parallel manner. ?-? inter-actions are also observed, with centroid-centroid distances of 3.7115?(19) and 3.743?(2)?Å.

| S-EPMC3006709 | biostudies-literature

1-[(2-Hy-droxy-phen-yl)(pyrrolidin-1-yl)-meth-yl]naphthalen-2-ol N,N-dimethyl-formamide monosolvate.

Project description:The title compound, C(21)H(21)NO(2)·C(3)H(7)NO, was synthesized by solvent-free one-pot three-component reaction of naphthalen-2-ol, 2-hy-droxy-benzaldehyde and pyrrolidine. The dihedral angle between the naphthalene ring system and the benzene ring is 77.74 (6)°. The pyrrolidine ring assumes an envelope conformation. An intra-molecular O-H⋯N and an inter-molecular O-H⋯O hydrogen bond are observed.

| S-EPMC3297932 | biostudies-literature

Crystal structure of (E)-2-[4-(4-hy-droxy-phen-yl)butan-2-yl-idene]hydrazine-1-carbo-thio-amide.

Project description:The title compound, C11H15N3OS, is a thio-semicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hy-droxy-phen-yl)butane-2-one]. The mol-ecule deviates from planarity, with the bridging C-C-C=N torsion angle equal to -101.3 (2)°. The maximum deviation from the mean plane of the non-H atoms of the thio-semicarbazone fragment [C=N-N-C(= S)-N] is 0.085 (5) Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31 (8)°. In the crystal, mol-ecules are linked by N-H⋯O, N-H⋯S and O-H⋯S hydrogen bonds, forming a three-dimensional structure, with the mol-ecules stacked along [011].

| S-EPMC4331873 | biostudies-literature

(2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hy-droxy-phen-yl)acetic acid.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(15)H(17)N(3)O(6). The 2,3-dioxopiperazine ring adopts a half-chair conformation with torsion angles of -7.6?(4) and 35.1?(4)° in one mol-ecule, and 5.3?(4) and 45.4?(4)° in the other mol-ecule. In the crystal structure, the carb-oxy groups are involved in classical inversion-related O-H?O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further linked by inter-molecular O-H?O and C-H?O hydrogen bonds. Each independent mol-ecule also exhibits an intra-molecular N-H?O hydrogen bond. The H atoms of the carb-oxy groups are disordered over two positions, with refined site-occupancy factors of 0.5.

| S-EPMC3007271 | biostudies-literature

3-Hy-droxy-4-(3-hy-droxy-phen-yl)-2-quinolone monohydrate.

Project description:In the title compound, also known as viridicatol monohydrate, C(15)H(11)NO(3)·H(2)O, the dihedral angle between the benzene ring and quinoline ring system is 64.76?(5)°. An intra-molecular O-H?O hydrogen bond occurs. The crystal structure is stabilized by classical inter-molecular N-H?O and O-H?O hydrogen bonds and weak ?-? inter-actions with a centroid-centroid distance of 3.8158?(10)?Å.

| S-EPMC3213626 | 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