Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3-Dimethyl-anilinium chloride monohydrate.

ABSTRACT: 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.

SUBMITTER: Biglari Mazlaghani H

PROVIDER: S-EPMC3247476 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3-Dimethyl-anilinium chloride monohydrate.

Biglari Mazlaghani Hossein H Talei Bavil Olyai Mohamad Reza MR Hossein Zadeh Soudeh S Notash Behrouz B

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

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. ...[more]

PMID: 22220094

Similar Datasets

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

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

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

2-Carboxy-anilinium chloride monohydrate.

Project description:In the mol-ecule of the title compound, C(7)H(8)NO(2) (+)·Cl(-)·H(2)O, an intra-molecular N-H?O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, inter-molecular O-H?O and N-H?Cl hydrogen bonds link the mol-ecules. There is a C=O?? contact between the carbonyl unit and the centroid of the benzene ring. There is a C=O?? contact [C?Cg = 3.5802?(18), C-O?Cg = 89?(1)°] between the carbonyl unit and the centroid of the benzene ring.

| S-EPMC2959323 | biostudies-literature

2,5-Dichloro-anilinium chloride monohydrate.

Project description:The title compound, C(6)H(6)Cl(2)N(+)·Cl(-)·H(2)O, is composed of discrete cations, choride anions and water mol-ecules, which are connected through N-H?Cl, O-H?Cl and N-H?O hydrogen bonding. Two H atoms of the positively charged -NH(3) (+) group have two chloride acceptors and the other one has the O atom of the water mol-ecule as acceptor. The chloride anions form hydrogen bonds with two H atoms from two different water mol-ecules and two H atoms from two positively charged -NH(3) (+) groups.

| S-EPMC2968594 | biostudies-literature

2,4-Dimethyl-anilinium chloride.

Project description: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.

| S-EPMC3006738 | biostudies-literature

4-(2,3-Dimethyl-phen-yl)piperazin-1-ium chloride monohydrate.

Project description:The title compound, C(12)H(19)N(2) (+)·Cl(-)·H(2)O, contains a network of 4-(2,3-dimethyl-phen-yl)piperazin-1-ium cations, water mol-ecules and chloride anions. The crystal packing is influenced by O-H?Cl, N-H?Cl, N-H?O, C-H?O and C-H?Cl hydrogen bonds, resulting in structure with an open-framework architecture.

| S-EPMC2961679 | biostudies-literature

3-Chloro-2-methyl-anilinium chloride monohydrate.

Project description:In the title hydrated salt, C7H9ClN(+)·Cl(-)·H2O, the organic cations, anions and water mol-ecules are connected by N-H?Cl, N-H?O and O-H?Cl hydrogen bonds. These inter-actions lead to the formation of layers parallel to the ac plane.

| S-EPMC4051040 | biostudies-literature

Bis(2,3-dimethyl-anilinium) dihydrogen-diphosphate.

Project description:In the title compound, 2C(8)H(12)N(+)·H(2)P(2)O(7) (2-), the complete dihydrogendiphosphate anion is generated by crystallographic twofold symmetry, with the bridging O atom lying on the rotation axis [P-O-P = 135.50?(9)°]. In the crystal, the 2,3-xylidinium cations are anchored between ribbons formed by the H(2)P(2)O(7) entities. Crystal cohesion and stability are supported by electrostatic inter-actions which, together with N-H?O and O-H?O hydrogen bonds, build up a three-dimensional network.

| S-EPMC2983687 | 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