Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Rac-(1R,2R,4S)-1,2-Dibromo-4-[(1R)-1,2-dibromo-eth-yl]cyclo-hexa-ne.

ABSTRACT: In the title compound, C(8)H(12)Br(4), the cyclo-hexane ring exhibits a chair conformation. The C-Br distances range from 1.964?(6) to 1.985?(5)?Å and the C-C distances range from 1.496?(6) to 1.543?(7)?Å. Short inter-molecular Br?Br contacts [3.467?(4)?Å] occur in the crystal.

SUBMITTER: Koppen R

PROVIDER: S-EPMC3011632 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

rac-(1R,2R,4S)-1,2-Dibromo-4-[(1R)-1,2-dibromo-eth-yl]cyclo-hexa-ne.

Köppen Robert R Koch Matthias M Emmerling Franziska F Nehls Irene I

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

In the title compound, C(8)H(12)Br(4), the cyclo-hexane ring exhibits a chair conformation. The C-Br distances range from 1.964 (6) to 1.985 (5) Å and the C-C distances range from 1.496 (6) to 1.543 (7) Å. Short inter-molecular Br⋯Br contacts [3.467 (4) Å] occur in the crystal. ...[more]

PMID: 21589595

Similar Datasets

(1R,2R)-N,N'-Dimethyl-cyclo-hexane-1,2-diamine.

Project description:The molecule of the title compound, C(8)H(18)N(2), possesses C(2) symmetry. Owing to its stereochemistry, it is used in the synthesis of chiral ligands and metal complexes for asymmetric synthesis. The cyclo-hexane ring shows a chair conformation with the amino groups in equatorial positions. Contrary to the literature, the title compound is not a liquid, but a crystalline solid at room temperature (293 K). The absolute configuration is assigned from the synthesis.

| S-EPMC2960996 | biostudies-literature

rac-(rel-1R,2R,4S)-Spiro-[bicyclo-[2.2.1]heptane-2,3'-indol]-2'-amine.

Project description:In the racemic title compound, C(14)H(16)N(2), the aromatic ring component of the amino-indoline system occupies the endo cavity of the norbornane component. The aromatic ring lies at an angle of 74.12 (5)° to the plane defined by the four C atoms that comprises the rigid part of the boat-shaped six-membered ring of the norbornane unit. Pairs of mol-ecules assemble in the crystal structure, forming centrosymmetric hydrogen-bonded dimers via pairs of N-H⋯N hydrogen bonds through the syn H atom of the amine group.

| S-EPMC3051556 | biostudies-literature

(±)-1,2-Bis(N'-benzoyl-thio-ureido)cyclo-hexa-ne.

Project description:In the title compound, C(22)H(24)N(4)O(2)S(2), the two thio-urea segments of the side-arm groups are inclined at a dihedral angle of 73.09?(9)°. The central cyclo-hexane bridge adopts a chair conformation. The mol-ecule is stabilized by N-H?O intra-molecular hydrogen bonds forming S(6) rings, and N-H?O and N-H?S inter-molecular hydrogen bonds forming infinite chains developing parallel to the b axis.

| S-EPMC3089146 | biostudies-literature

3,3'-Dibromo-4,4'-[(1R,2R)-cyclohexane-1,2-diyldiimino]dipent-3-en-2-one.

Project description:The asymmetric unit of the title compound, C(16)H(24)Br(2)N(2)O(2), contains two independent mol-ecules, each which has two intra-molecular N-H?O hydrogen bonds linking the amine N atoms to the enolic O atoms of the same acacH-imine unit. In the crystal, the mol-ecules are lined up by inter-molecular weak C-H?O hydrogen bonds, forming two vertical each other two-dimensional chains along the a axis and b axis of the unit cell, respectively.

| S-EPMC2968109 | biostudies-literature

(1R,2R)-2-(Pyridin-4-yl-methyl-amino)-cyclo-hexa-naminium chloride.

Project description:In the crystal structure of the title compound, C(12)H(20)N(3) (+)·Cl(-), the protonated (1R,2R)-(pyridin-4-ylmeth-yl)cyclo-hexane-1,2-diamine cations and chloride anions are linked via N-H⋯N and N-H⋯Cl hydrogen bonds into a three-dimensional network.

| S-EPMC3051964 | biostudies-literature

1,2-Bis[N'-(2,2-dimethyl-propionyl)thio-ureido]cyclo-hexa-ne.

Project description:In the title compound, C(18)H(32)N(4)O(2)S(2), the dihedral angle between the two thio-urea groups is 78.55 (7)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O hydrogen bonds and the crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC2961203 | biostudies-literature

(1R,2R)-N,N'-Diisobutyl-N,N'-dimethyl-cyclo-hexane-1,2-diamine.

Project description:The title compound, C(16)H(34)N(2), is a chiral diamine with fixed R configuration at both stereogenic carbon centres of the cyclo-hexane backbone. Due to their different substituents, the two N atoms also become stereogenic. In the crystal structure, the configuration at one of the two nitro-gen centres is fixed, with the free electron pair pointing inward and the isobutyl group in a trans position towards the cyclo-hexane backbone resulting in an R configuration. The isobutyl group at the second N atom, however, is disordered with 75% S configuration and 25% R configuration. In both cases, the isobutyl group is arranged in a trans position towards the cyclo-hexane backbone.

| S-EPMC2977656 | biostudies-literature

(1R*,2S*,4S*,5R*)-Cyclo-hexane-1,2:4,5-tetra-carb-oxy-lic dianhydride.

Project description:The title compound, C(10)H(8)O(6), a promising raw material to obtain colorless polyimides which are applied to microelectronic and optoelectronic devices, adopts a folded conformation in which the dihedral angle between the two anhydro rings is 55.15?(8)°. The central six-membered ring assumes a conformation inter-mediate between boat and twist-boat. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming a layer parallel to the bc plane.

| S-EPMC3297306 | biostudies-literature

meso-Dimethyl 2,5-dibromo-hexa-ne-dioate.

Project description:The title compound, C(8)H(12)Br(2)O(4), lies about a crystallographic center of inversion at the midpoint of the central C-C bond. The latter is also repsonsible for the observation of the meso form. There are no intra-molecular hydrogen bonds, but mol-ecules are connected by inter-molecular C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC3011740 | biostudies-literature

(1R,2R)-N,N'-Bis[1-(2-pyrid-yl)ethyl-idene]cyclo-hexane-1,2-diamine.

Project description:In the title compound, C(20)H(24)N(4), the cyclo-hexane ring adopts a chair conformation with the two imine groups linked at equatorial positions. The two halves of the mol-ecule are related by a crystallographic twofold rotation axis. The dihedral angle between the pyridine rings is 75.73?(3)°.

| S-EPMC2979034 | 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