Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4-Dimethyl-anilinium chloride.

ABSTRACT: In the crystal structure of the title compound, C(8)H(12)N(+)·Cl(-), all H atoms bonded to the ammonium N atom are hydrogen bonded to the chloride ions, with N?Cl distances in the range 3.080?(2)-3.136?(2)?Å, resulting in 16-membered macrocyclic rings involving four formula units of the title compound.

SUBMITTER: Yao JY

PROVIDER: S-EPMC3006738 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4-Dimethyl-anilinium chloride.

Yao Ji-Yuan JY

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

In the crystal structure of the title compound, C(8)H(12)N(+)·Cl(-), all H atoms bonded to the ammonium N atom are hydrogen bonded to the chloride ions, with N⋯Cl distances in the range 3.080 (2)-3.136 (2) Å, resulting in 16-membered macrocyclic rings involving four formula units of the title compound. ...[more]

PMID: 21587806

Similar Datasets

2,4-Dimethyl-anilinium perchlorate.

Project description:The crystal packing of the title compound, C(8)H(12)N(+)·ClO(4) (-), is stabilized by N-H⋯O hydrogen bonds, the protonated amine group acting as a hydrogen-bond donor with the perchlorate O atoms as acceptors. These connect neighbouring cations and anions, forming a two-dimensional network. Variable-temperature dielectric constant measurements on the salt indicated that no distinct phase transition occurred within the measured temperature range of 80-293 K.

| S-EPMC3006913 | biostudies-literature

A second monoclinic polymorph of 2,4-dimethyl-anilinium chloride.

Project description:A second monoclinic polymorph of 2,4-dimethyl-anilinium chloride, C(8)H(12)N(+)·Cl(-), (I), is reported. The unit-cell dimensions differ from those of the first reported monoclinic form, (II) [Yao (2010 ?). Acta Cryst. E66, o1563]. Nevertheless, both compounds crystallize in the monoclinic space group P2(1)/n. As in (II), the protonated amine group in (I) acts as a hydrogen-bond donor to the chloride ion, forming three N-H?Cl hydrogen bonds. The result is a two-dimensional network in the ac plane. The difference in the hydrogen-bond pattern is that in (I) only 12-membered rings are formed whereas in (II), eight-membered and 16-membered rings are formed.

| S-EPMC3238857 | biostudies-other

2,6-Dimethyl-anilinium chloride monohydrate.

Project description:In the title hydrated mol-ecular salt, C(8)H(12)N(+)·Cl(-)·H(2)O, the component species inter-act by way of N-H?O, N-H?Cl and O-H?Cl hydrogen bonds, resulting in a three-dimensional network.

| S-EPMC2960140 | biostudies-literature

2,3-Dimethyl-anilinium chloride monohydrate.

Project description:The crystal structure of the title salt, C(8)H(12)N(+)·Cl(-)·H(2)O, consists of discrete organic cations, chloride anions and water mol-ecules which are connected by N-H?Cl, N-H?O and O-H?Cl hydrogen bonds. These inter-actions lead to the formation of layers lying parallel to the ab plane.

| S-EPMC3247476 | biostudies-literature

3,4-Dimethyl-anilinium chloride monohydrate.

Project description:The crystal structure of the title compound, C(8)H(12)N(+)·Cl(-)·H(2)O, consists of hydro-phobic layers of dimethyl-anilinium cations parallel to the bc plane alternated by hydro-philic layers of chloride anions and water mol-ecules. The layers are linked by N-H?O and N-H?Cl hydrogen bonds involving the ammonium groups of the cations. The cohesion of the ionic structure is further stabilized by O-H?Cl hydrogen-bonding inter-actions.

| S-EPMC2968595 | biostudies-literature

2,5-Dimethyl-anilinium chloride monohydrate.

Project description:In the title compound, C(8)H(12)N(+)·Cl(-)·H(2)O, the crystal packing is influenced by O-H⋯Cl, N-H⋯Cl and N-H⋯O hydrogen bonds, resulting in a two-dimensional network propagating parallel to (001).

| S-EPMC2967991 | biostudies-literature

5-Carb-oxy-2,4-dihy-droxy-anilinium chloride.

Project description:In the title salt, C(7)H(8)NO(4) (+)·Cl(-), the organic group is planar with an r.m.s. deviation of 0.0265?Å. An S(6) ring motif is formed due to an intra-molecular O-H?O hydrogen bond. The compound consists of dimers due to inter-molecular O-H?O hydrogen bonds with an R(2) (2)(8) ring motif. The dimers are inter-linked through strong N-H?Cl and O-H?Cl hydrogen bonds, resulting in a three-dimensional polymeric network.

| S-EPMC3007849 | biostudies-literature

5-Carb-oxy-2,4-dihy-droxy-anilinium chloride dihydrate.

Project description:In the title compound, C(7)H(8)NO(4) (+)·Cl(-)·2H(2)O, the organic mol-ecule is almost planar with an r.m.s. deviation of 0.0164?Å for all non-H atoms. An S(6) ring motif is formed due to an intra-molecular O-H?O hydrogen bond. In the crystal, the mol-ecules are linked into a three-dimensional network by N-H?Cl, N-H?O, O-H?Cl and O-H?O hydrogen bonds.

| S-EPMC3051567 | biostudies-literature

Bis(2-amino-4,5-dimethyl-anilinium chloride) 4,5-dimethyl-benz-ene-1,2-diamine monohydrate.

Project description:The title compound, 2C(8)H(13)N(2) (+)·2Cl(-)·C(8)H(12)N(2)·H(2)O, is a hydrated 2:1 cocrystal of the 2-amino-4,5-dimethyl-anilinium chloride salt and the 4,5-dimethyl-benz-ene-1,2-diamine free base. An intra-molecular N-H?N hydrogen bond occurs in one of the organic mol-ecules. In the crystal structure, the components are linked by N-H?Cl, N-H?N, N-H?O and O-H?Cl hydrogen bonds into a layered motif.

| S-EPMC2977749 | biostudies-literature

4-Methoxy-anilinium chloride.

Project description:The crystal structure of the title compound, C(7)H(10)NO(+)·Cl(-), was synthesized by the reaction of 4-methoxy-aniline and hydro-chloric acid. In the crystal structure, the ions are involved in inter-molecular N-H?Cl hydrogen bonds.

| S-EPMC2970478 | 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