Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhang YQ

PROVIDER: S-EPMC2968109 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhang Yun-Qian YQ Zhang Qi-Long QL Zhu Bi-Xue BX

Acta crystallographica. Section E, Structure reports online 20081224 Pt 1

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. ...[more]

PMID: 21581658

Similar Datasets

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

Project description: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.

| S-EPMC3011632 | biostudies-other

3,3'-Dibromo-5,5'-bis-[(S)-l-menth-yloxy]-4,4'-(hexane-1,6-diyldiimino)difuran-2(5H)-one.

Project description:The title compound, C(34)H(54)Br(2)N(2)O(6), was obtained by the Michael addition-elimination reaction of (5S)-5-(l-menthyl-oxy)-3,4-dibromo-furan-2(5H)-one with 1,6-hexa-nediamine in the presence of triethyl-amine. The crystal structure contains two chiral five-membered furan-one rings, in twist and envelope conformations, and two six-membered cyclo-hexane rings in chair conformations.

| S-EPMC2962195 | biostudies-literature

(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

(1R,2R)-1,2-Diphenyl-1,2-bis-(1H-tetra-zol-1-yl)ethane.

Project description:The title compound, C(16)H(14)N(8), is a new chiral ligand designed for applications in supra-molecular chemistry and Fe(2+) spin-crossover complexes. The crystal structure shows a herring-bone arrangement of the mol-ecules, which are mutually linked via inter-molecular C-H⋯N inter-actions mainly donated by the alkyl and tetra-zole H atoms.

| S-EPMC2970974 | biostudies-literature

(1R,2R)-N,N'-Bis(ferrocenylmeth-yl)-1,2-diphenyl-ethane-1,2-diamine.

Project description:The title compound, [Fe(2)(C(5)H(5))(2)(C(26)H(26)N(2))], was synthesized from a chiral diamine and ferrocenecarboxaldehyde and subsequent reduction with NaBH(4). It has two chiral centers which both exhibit an R configuration. Two ferrocene groups are present in the mol-ecular structure, with their cyclo-penta-dienyl ring planes showing an almost perpen-dicular arrangement [dihedral angle 88.6?(1)°].

| S-EPMC3007283 | biostudies-other

(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

{4,4'-Dibromo-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II).

Project description:In the title compound, [Cu(C(16)H(12)Br(2)N(2)O(2))], the Cu(II) atom is coordinated in a slightly distorted square-planar geometry by two O and two N atoms of the tetra-dentate dianionic 4,4'-dibromo-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphen-olate Schiff base ligand.

| S-EPMC2977491 | biostudies-literature

(R,R)-4,4'-Dibromo-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(20)H(20)Br(2)N(2)O(2), lies on a twofold axis. It contains two stereogenic C atoms with R chirality and thus it is the enatiomerically pure R,R-diastereomer. There is an intra-molecular O-H?N hydrogen bond.

| S-EPMC2971247 | biostudies-literature

{(+)-(1R,2R)-1,2-Diphenyl-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]-di-phenol-ato}dipyridine-cobalt(III) perchlorate sesquihydrate.

Project description:In title complex, [Co(C(28)H(22)N(2)O(2))(C(5)H(5)N)(2)]ClO(4)·1.5H(2)O, the Co(III) ion is in a slightly distorted octa-hedral coordination environment with the pyridine ligands in a trans arrangement. In addition to the cation and anion, the asymmetric unit also contains three half-occupancy solvent water mol-ecules and all components are connected via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2968403 | 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