Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Propan-1-aminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate N,N-dimethyl-formamide monosolvate.

ABSTRACT: In the anion of the title solvated molecular salt, C(3)H(10)N(+)·C(9)H(3)Br(4)O(4) (-)·C(3)H(7)NO, the dihedral angles formed by the aromatic ring and the mean planes of the carboxyl-ate and meth-oxy-carbonyl groups are 64.3?(3) and 75.2?(3)°, respectively. The C atoms of the propan-1-aminium cation are disordered over two sets of sites in a 0.65?(3):0.35?(3) ratio. The crystal structure is stabilized by N-H?O hydrogen bonds.

SUBMITTER: Li J

PROVIDER: S-EPMC3120559 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Propan-1-aminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate N,N-dimethyl-formamide monosolvate.

Li Jian J

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the anion of the title solvated molecular salt, C(3)H(10)N(+)·C(9)H(3)Br(4)O(4) (-)·C(3)H(7)NO, the dihedral angles formed by the aromatic ring and the mean planes of the carboxyl-ate and meth-oxy-carbonyl groups are 64.3 (3) and 75.2 (3)°, respectively. The C atoms of the propan-1-aminium cation are disordered over two sets of sites in a 0.65 (3):0.35 (3) ratio. The crystal structure is stabilized by N-H⋯O hydrogen bonds. ...[more]

PMID: 21754750

Similar Datasets

2-Methyl-propan-2-aminium 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(4)H(12)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the components into columns stacked along the b axis. Between the columns, short Br?O contacts [3.122?(4)?Å] and C-H?O hydrogen bonds are observed.

| S-EPMC3099836 | biostudies-other

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

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

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

2-Methyl-propan-2-aminium 2-(meth-oxy-carbon-yl)benzoate.

Project description:In the title compound, C(4)H(12)N(+)·C(9)H(7)O(4) (-), two C atoms and the N atom of the cation lie on a mirror plane, while all the atoms of the anion are disordered about a mirror plane. In the crystal, N-H?O hydrogen bonds link the components into chains along [010]. In the anion, the mean planes of the methoxycarbonyl and carboxylate groups form dihedral angles of 83.0 (2) and 83.2 (2)°, respectively, with the aromatic ring.

| S-EPMC3201413 | biostudies-literature

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

Ethane-1,2-diaminium 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)benzoate methanol solvate.

Project description:In the title compound, C(2)H(10)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·CH(4)O, the N atoms of the ethane-1,2-diamine mol-ecule are protonated. The crystal structure is stabilized by N-H?O hydrogen bonds between the ethane-1,2-diaminium cations and 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)bromo-benzoate anions, and by O-H?O and N-H?O hydrogen bonds between the methanol solvate and both the cation and the anion. In addition, the crystal structure exhibits a C-Br?O halogen bond [3.20?(3)?Å] and a Br?Br inter-action [3.560?(2)?Å].

| S-EPMC2960063 | biostudies-literature

Methyl 2-amino-3,4,5,6-tetra-fluoro-benzoate.

Project description:In the title compound, C(8)H(5)F(4)NO(2), synthesized by esterification of 2,3,4,5-tetra-fluoro-anthranilic acid with methanol, an intra-molecular amine N-H?O(carbon-yl) hydrogen bond is present, while inter-molecular N-H?O hydrogen bonds produce chains in the crystal, which extend along the b-axis direction.

| S-EPMC3120311 | 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