Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Feng ZQ

PROVIDER: S-EPMC3011740 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Feng Zhi-Qiang ZQ Ye Yuan-Feng YF Yang Xiao-Li XL Dong Tao T Wang Huai-Qing HQ

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

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. ...[more]

PMID: 21589459

Similar Datasets

Dimethyl 2,5-bis-(5-hexyl-thio-phen-2-yl)benzene-1,4-dioate.

Project description:In the title compound, C(30)H(38)O(4)S(2), the centroid of the benzene ring lies on a center of inversion. The thio-phene ring is aligned at 49.8 (1)° with respect to the benzene ring. The alkyl chain adopts an extended zigzag conformation.

| S-EPMC3089346 | biostudies-literature

4-[4-(Dimethyl-amino)benzyl-idene]-2,6-dimethyl-cyclo-hexa-2,5-dienone.

Project description:The title compound, C(17)H(19)NO, crystallized with two mol-ecules per asymmetric unit. C-H⋯O hydrogen bonds lead to infinite chains along [100]. According to graph-set theory, the descriptor C(1) (1)(13)C(1) (1)(13) can be assigned.

| S-EPMC2969876 | biostudies-literature

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

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

2,5-Dibromo-pyridine.

Project description:In the title compound, C(5)H(3)Br(2)N, C-H⋯N hydrogen-bonding inter-actions and Br⋯Br inter-actions [3.9418 (3) and 3.8986 (3) Å] connect the mol-ecules into planar sheets stacked perpendicular to the b axis. In addition, pyrid-yl-pyridyl inter-sheet π-π stacking inter-actions [centroid-centroid distance = 4.12 (1) Å] result in a three-dimensional network.

| S-EPMC2969055 | biostudies-literature

3,4-Dibromo-2,5-dimethyl-1-phenyl-sulfonyl-1H-pyrrole.

Project description:In the title compound, C(12)H(11)Br(2)NO(2)S, the dihedral angle between the two rings is 78.79?(12)°. The crystal packing features C-H?? inter-actions.

| S-EPMC3200873 | biostudies-other

(6E)-N-[(4Z)-2,5-Dimethyl-4-(p-tolyl-imino)cyclo-hexa-2,5-dienyl-idene]-4-methyl-aniline.

Project description:The title compound, C(22)H(22)N(2), was prepared by the reaction of 4-amino-toluene with sodium carbonate, sodium hydroxide and potassium permanganate. The mol-ecule is disposed about a crystallographic inversion centre with one half-mol-ecule comprising the asymmetric unit. The dihedral angle between the terminal and central benzene rings is 88.05?(1)°. The crystal packing is stabilized by van der Waals forces.

| S-EPMC2915035 | biostudies-literature

2,5-Dibromo-terephthalic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(4)Br(2)O(4)·2H(2)O, contains one half-mol-ecule of 2,5-dibromo-terephthalic acid (DBTA) and one water mol-ecule. The DBTA mol-ecule is centrosymmetric. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional framework.

| S-EPMC2960662 | biostudies-literature

2,5-Dibromo-indan-1-ol.

Project description:In the title compound, C(9)H(8)Br(2)O, the cyclo-pentene ring adopts an envelope conformation with the brominated C atom as the flap. In the crystal, mol-ecules are linked by strong O-H⋯O hydrogen bonds into zigzag C(4) chains along [010]. In addition, a C-H⋯π inter-action involving the benzene ring and the H atom attached to the hy-droxy-lated C atom is observed.

| S-EPMC3435824 | biostudies-literature

Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

Project description:The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-decane prevent dimerization upon oxidation.

| S-EPMC4555389 | 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