Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ng SW

PROVIDER: S-EPMC2977749 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090418 Pt 5

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. ...[more]

PMID: 21583885

Similar Datasets

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

Bis(acetato-?O)bis-(4,5-dimethyl-benzene-1,2-diamine-?N)zinc.

Project description:The structure of the title compound, [Zn(CH(3)COO)(2)(C(8)H(12)N(2))(2)], has one half molecule in the asymmetric unit. The Zn(II) atom is situated on a twofold rotation axis and is tetrahedrally coordinated by two N and two O atoms. The crystal packing displays inter-molecular N-H?O hydrogen bonds and intra-molecular N-H?O and N-H?N hydrogen bonding.

| S-EPMC3414110 | biostudies-literature

Dimethyl 3,3'-[(4,5-dicyano-1,2-phenyl-ene)bis-(-oxy)]dibenzoate.

Project description:In the title compound, C(24)H(16)N(2)O(6), the dihedral angles between the central 4,5-dicyano-1,2-phenyl-ene unit [maximum deviation from planarity = 0.014?(4)?Å] and the pendant benzene rings are 73.62?(5) and 84.08?(6)°.

| S-EPMC3435642 | biostudies-literature

1,3-Bis(4-tert-butyl-benz-yl)-4,5-dihydro-imidazolium chloride monohydrate.

Project description:In the title compound, C(25)H(35)N(2) (+)·Cl(-)·H(2)O, the imidazolidine ring adopts a twisted conformation, with a pseudo-twofold axis passing through the N-C-N carbon and the opposite C-C bond. The N-C-N fragment of the imidazolidine ring shows some degree of both double- and single-bond character due to partial electron delocalization. One of the tert-butyl groups is disordered over two conformations with occupancies of 0.714?(8) and 0.286?(8). In the crystal, O-H?Cl and C-H?O hydrogen bonds help to establish the packing.

| S-EPMC2968238 | biostudies-literature

N,N'-(4,5-Dimethyl-1,2-phenyl-ene)bis-(pyridine-2-carboxamide).

Project description:In the title compound, C(20)H(18)N(4)O(2), the dihedral angles between the central benzene ring and the pyridine rings are 57.55?(6) and 22.05?(8)°. The mol-ecular conformation is stabilized by intra-molecular N-H?N inter-actions and in the crystal structure an inter-molecular asymmetric cyclic hydrogen-bonding association involving both amide N-H donors and a common amide O-atom acceptor gives a chain extending along the c axis.

| S-EPMC3435751 | biostudies-literature

[?-N,N'-Bis(2-pyridylmethyl-ene)ethane-1,2-diamine]bis-{aqua-[N,N'-bis-(2-pyridyl-methyl-ene)ethane-1,2-diamine]manganese(II)} tetra-kis(perchlorate).

Project description:The cation of the salt, [Mn(2)(C(14)H(14)N(4))(3)(H(2)O)(2)](ClO(4))(4), lies on a center of inversion, the center lying midway along the ethyl-ene chain of the bridging N,N'-bis-(2-pyridylmethyl-ene)ethane-1,2-diamine ligand. The Mn atom is chelated by two atoms N atoms of this bridging ligand, and is also coordinated by four N atoms of another ligand. The Mn atom is seven-coordinated in a penta-gonal-bipyramidal environment. The crystal structure displays inter-molecular ?-? inter-actions between adjacent pyridine rings, with a shortest centroid-centroid distance of 3.784?(3)?Å. The perchlorate is linked to the dinuclear cation by O-H?O hydrogen bonds.

| S-EPMC2983616 | biostudies-literature

1,2-Bis(1H-pyrrol-2-ylmethyl-ene)diazane monohydrate.

Project description:The mol-ecular structure of title compound, C(10)H(10)N(4)·H(2)O, has an inversion centre located on the mid-point of the N-N bond of the mol-ecule. A twofold rotation axis passes through the water O atom. In the crystal structure, a two-dimensional network is constructed through N-H?O and O-H?N hydrogen bonds.

| S-EPMC2977307 | 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