Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cyclo-hexa-naminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

ABSTRACT: In the title compound, C(6)H(14)N(+)·C(9)H(3)Cl(4)O(4) (-), the cyclo-hexane ring of the cation adopts a chair conformation. In the anion, the mean planes of the meth-oxy-carbonyl and carboxyl-ate groups form dihedral angles of 67.3?(3) and 55.7?(3)°, respectively, with the benzene ring. In the crystal, inter-molecular N-H?O hydrogen bonds connect the components into chains along [100].

SUBMITTER: Li J

PROVIDER: S-EPMC3099821 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Cyclo-hexa-naminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

Li Jian J

Acta crystallographica. Section E, Structure reports online 20110312 Pt 4

In the title compound, C(6)H(14)N(+)·C(9)H(3)Cl(4)O(4) (-), the cyclo-hexane ring of the cation adopts a chair conformation. In the anion, the mean planes of the meth-oxy-carbonyl and carboxyl-ate groups form dihedral angles of 67.3 (3) and 55.7 (3)°, respectively, with the benzene ring. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect the components into chains along [100]. ...[more]

PMID: 21754124

Similar Datasets

Methanaminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

Project description:In the crystal structure of the title compound, CH(6)N(+)·C(9)H(3)Cl(4)O(4) (-), the N atom of the methyl-amine mol-ecule is protonated and hydrogen bonded to the carboxyl group of the 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate anion. The anions are linked by the cations via inter-molecular N-H?O inter-actions into chains extending along the c axis.

| S-EPMC3052077 | biostudies-literature

Propan-1-aminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

Project description:In the anion of the title salt, C(3)H(10)N(+)·C(9)H(3)Cl(4)O(4) (-), the meth-oxy-carbonyl and carboxyl groups are aligned at dihedral angles of 57.8?(3) and 62.5?(3)°, respectively, with the aromatic ring. In the crystal, the cations and anions are linked by N-H?O hydrogen bonds, generating chains running aong the c axis.

| S-EPMC3052160 | biostudies-literature

Ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

Project description:In the crystal structure of the title compound, C(2)H(8)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular N-H?O and O-H?O hydrogen bonds link the components into chains along [001]. Additional stabilization is supplied by weak C-H?O and C-H?Br inter-actions.

| S-EPMC3050225 | biostudies-literature

2-Methyl-anilinium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

Project description:In the anion of the title compound, C(7)H(10)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(3)O, the dihedral angles formed by the benzene ring and the mean planes of the carboxyl-ate and meth-oxy-carbonyl groups are 74.8 (5) and 75.0 (5)°, respectively. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the components into chains along [100]. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3099999 | biostudies-literature

Butane-1,4-diaminium bis-[3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate].

Project description:In the title salt, C(4)H(14)N(2) (+)·2C(9)H(3)Cl(4)O(4) (-), the cation lies on an inversion center. In the anion, the mean planes of meth-oxy-carbonyl and carboxyl-ate groups form dihedral angles of 64.9?(3) and 58.5?(3)°, respectively, with the benzene ring. In the crystal, inter-molecular N-H?O hydrogen bonds connect the components into sheets parallel to (100).

| S-EPMC3120406 | biostudies-other

Hexane-1,6-diaminium bis-[3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate].

Project description:In the anion of the title salt, C(6)H(18)N(2) (2+)·2C(9)H(3)Cl(4)O(4) (-), the meth-oxy-carbonyl and carboxyl groups are aligned at dihedral angles of 71.0?(3) and 100.9?(3)°, respectively, with the aromatic ring. The asymmetric unit contains half a cation and one anion. In the crystal, inter-molecular N-H?O, C-H?Cl and C-H?O hydrogen bonds link the components into a three-dimensional network.

| S-EPMC3099857 | biostudies-other

Hexane-1,6-diaminium bis-[3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate] methanol disolvate.

Project description:In the title compound, C(6)H(18)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·2CH(4)O, the carboxyl-ate and meth-oxy-carbonyl groups in one of the anions form dihedral angles of 71.9?(3) and 60.7?(3)°, respectively, with the aromatic ring while in the other anion these angles are 68.4?(3) and 56.8?(3)°, respectively. In the crystal, the constituent units are linked into a two-dimensional network parallel to the ab plane by N-H?O and O-H?O hydrogen bonds.

| S-EPMC3201551 | biostudies-literature

Heptaaqua-(3,4,5,6-tetra-chloro-phthalato-?O(1))erbium(III) 2-carb-oxy-3,4,5,6-tetra-chloro-benzoate-3,4,5,6-tetra-chloro-phthalic acid-water (1/1/1).

Project description:In the three-dimensional tetra-chloro-phthalate-bridged title complex [Er(C(8)Cl(4)O(4))(H(2)O)(7)](C(8)HCl(4)O(4))·C(8)H(2)Cl(4)O(4)·H(2)O, the Er(III) ion is coordinated in form of a distorted square antiprism by an O atom of a tetra-chloro-phthalate ligand and by seven water O atoms. Extensive hydrogen bonds establish a layered network structure extending parallel to (001).

| S-EPMC3344381 | biostudies-literature

2-Hy-droxy-ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

Project description:In the title compound, C(2)H(8)NO(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular N-H?O and O-H?O hydrogen bonds link the components into chains along [001].

| S-EPMC3099881 | biostudies-other

{6-[2,5-Bis(chloro-meth-yl)-3,4-dihydroxy-tetra-hydro-furan-2-yl-oxy]-3-chloro-4,5-dihydr-oxy-3,4,5,6-tetra-hydro-2H-pyran-2-yl}methyl acetate dihydrate.

Project description:The title compound, C(14)H(21)Cl(3)O(9)·2H(2)O, is a disaccharide constructed from a galactose and a fructose. In the mol-ecular structure, the tetra-hydro-furan five-membered ring and tetra-hydro-pyran six-membered ring assume envelope and chair conformations, respectively. An extensive O-H?O hydrogen-bonding network occurs in the crystal structure.

| S-EPMC2980221 | 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