Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro-8-oxabicyclo-[5.1.0]octan-3-ol.

ABSTRACT: In the title compound, C(7)H(10)Cl(2)O(2), the seven-membered ring displays a chair conformation. In the crystal, the hy-droxy H atom is equally disordered over two orientations, and links with an adjacent mol-ecule via an O-H?O hydrogen bond in both cases. Weak inter-molecular C-H?O hydrogen bonding is also a feature of the crystal structure.

SUBMITTER: Cetinkaya Y

PROVIDER: S-EPMC3089258 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro-8-oxabicyclo-[5.1.0]octan-3-ol.

Cetinkaya Yasin Y Menzek Abdullah A Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

In the title compound, C(7)H(10)Cl(2)O(2), the seven-membered ring displays a chair conformation. In the crystal, the hy-droxy H atom is equally disordered over two orientations, and links with an adjacent mol-ecule via an O-H⋯O hydrogen bond in both cases. Weak inter-molecular C-H⋯O hydrogen bonding is also a feature of the crystal structure. ...[more]

PMID: 21754453

Similar Datasets

Disodium (2RS,3SR)-tartrate.

Project description:The asymmetric unit of the anhydrous title compound, 2Na(+)·C(4)H(4)O(6) (2-), contains two sodium cations and one tartrate anion. Each sodium ion is six coordinate, with bonding to six O atoms from both the carboxyl-ate and hydroxyl groups of the anion. A three-dimensional coordination network is formed with sodium ions stacking in layers along the c-axis direction. This network is supported by additional O-H?O hydrogen bonds.

| S-EPMC2970502 | biostudies-literature

(1RS,4SR)-3-Dichloro-methyl-ene-1,4-dimethyl-2-oxabicyclo-[2.2.2]oct-5-ene.

Project description:X-ray crystallography was used to confirm the structure of the enantio-enriched title compound, C(10)H(12)Cl(2)O, a bicylic enol ether. A bridged boat-like structure is adopted and the dichloro-methyl-ene C atom is positioned significantly removed from the core bicyclic unit. In the crystal structure, mol-ecules pack to form sheets approximately perpendicular to the a and c axes.

| S-EPMC2961841 | biostudies-other

(1RS,2RS,3RS)-1,2-Dimeth-oxy-3-methyl-2-phenyl-1-(2-thien-yl)cyclo-propane.

Project description:In the title compound, C(16)H(18)O(2)S, a new cis-1,2-dimethoxy-cyclo-propane, the two meth-oxy groups are in a cis configuration and in trans positions with respect to the H atom and the phenyl and thienyl rings on the cyclo-propyl group. The mol-ecular packing is dominated by weak inter-molecular C-H?O inter-actions, allowing the formation of zigzag chains propagating parallel to the c axis. The dihedral angle between the aromatic rings is 86.12?(8)°.

| S-EPMC2969068 | biostudies-literature

Methyl 2,5-dichloro-benzoate.

Project description:In the mol-ecule of the title compound, C(8)H(6)Cl(2)O(2), the benzene ring is oriented with respect to the planar ester group at a dihedral angle of 39.22?(3)°.

| S-EPMC2959309 | biostudies-literature

4-[(1RS,5RS,7SR)-5-Methyl-2,4-dioxo-3,6-diaza-bicyclo-[3.2.1]octan-7-yl]benzonitrile.

Project description:In the title compound, C(14)H(13)N(3)O(2), the relative stereochemistry of the three stereogenic C atoms has been determined. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains of inversion dimers running along the b axis.

| S-EPMC3379309 | biostudies-literature

2,2-Dichloro-N-(2,5-dichloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound, C(8)H(5)Cl(4)NO, is syn to the 2-chloro substituent and anti to the 5-chloro substituent in the aromatic ring. The bond parameters are similar to those in 2,2-dichloro-N-phenyl-acetamide and other acetanilides. In the crystal structure, the mol-ecules are linked into chains through N-H?O hydrogen bonding.

| S-EPMC2915043 | biostudies-literature

2,5-Dichloro-anilinium chloride monohydrate.

Project description:The title compound, C(6)H(6)Cl(2)N(+)·Cl(-)·H(2)O, is composed of discrete cations, choride anions and water mol-ecules, which are connected through N-H?Cl, O-H?Cl and N-H?O hydrogen bonding. Two H atoms of the positively charged -NH(3) (+) group have two chloride acceptors and the other one has the O atom of the water mol-ecule as acceptor. The chloride anions form hydrogen bonds with two H atoms from two different water mol-ecules and two H atoms from two positively charged -NH(3) (+) groups.

| S-EPMC2968594 | biostudies-literature

(1RS,2RS)-4,4'-(1-Aza-niumyl-2-hy-droxy-ethane-1,2-di-yl)dipyridinium tetra-chlorido-platinate(II) chloride.

Project description:The title compound, (C12H16N3O)[PtCl4]Cl, consists of a 4,4'-(1-aza-niumyl-2-hy-droxy-ethane-1,2-di-yl)dipyridinium trication, a square-planar tetra-chloridoplatinate(II) dianion and a chloride ion. In the cation, the pyridinium rings attached to the central 1-aza-niumyl-2-hy-droxy-ethane fragment have an anti conformation, as indicated by the central C-C-C-C torsion angle of -166.5?(6)°, and they are inclined to one another by 63.5?(4)°. In the crystal, the cations and anions are linked through N-H?Cl and O-H?Cl hydrogen bonds. There are also ?-? contacts [centroid-centroid distances = 3.671?(4) and 3.851?(4)?Å] and a number of C-H?Cl inter-actions present, consolidating the formation of a three-dimensional supra-molecular structure.

| S-EPMC3588516 | biostudies-literature

2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

Project description:The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014?(4)?Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811?(2)?Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

| S-EPMC3435695 | biostudies-literature

2,5-Dichloro-thio-phene 1,1-dioxide.

Project description:The complete mol-ecule of the title compound, C(4)H(2)Cl(2)O(2)S, is generated by crystallographic twofold symmetry, with the S atom lying on the rotation axis. In the crystal, the molecules are linked by C-H?O hydrogen bonds..

| S-EPMC2972006 | 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