Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1'-Methyl-enedipyridinium dichloride monohydrate.

ABSTRACT: In the crystal structure of the title salt, C(11)H(12)N(2) (2+)·2Cl(-)·H(2)O, the dication adopts a butterfly shape [dihedral angle between rings = 69.0?(1)°] with the water mol-ecule lying in the V-shaped cavity. Each O-H bond of the water molecule lies parallel to an aromatic ring and forms an O-H?Cl inter-action to a chloride anion. The methyl-ene C atom in the dication and the water O atoms lie on special positions of twofold site symmetry.

SUBMITTER: Fu WZ

PROVIDER: S-EPMC2979144 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,1'-Methyl-enedipyridinium dichloride monohydrate.

Fu Wen-Zhen WZ Wang Wei-Juan WJ Niu Yun-Yin YY Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

In the crystal structure of the title salt, C(11)H(12)N(2) (2+)·2Cl(-)·H(2)O, the dication adopts a butterfly shape [dihedral angle between rings = 69.0 (1)°] with the water mol-ecule lying in the V-shaped cavity. Each O-H bond of the water molecule lies parallel to an aromatic ring and forms an O-H⋯Cl inter-action to a chloride anion. The methyl-ene C atom in the dication and the water O atoms lie on special positions of twofold site symmetry. ...[more]

PMID: 21579240

Similar Datasets

4,4'-(Cyclo-hexane-1,1-di-yl)dianilinium dichloride monohydrate.

Project description:In the title compound, C(18)H(24)N(2) (2+)·2Cl(-)·H(2)O, both the cation and the water mol-ecule lie on a twofold crystallographic axis. In the cation, the two benzene rings are perpendicular to each other, making a symmetry-constrained dihedral angle of 90°. In the crystal, N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds result in the formation of a three-dimensional network.

| S-EPMC3200667 | biostudies-literature

1,1'-Methyl-enebis(4-<i>tert</i>-butyl-pyridinium) dichloride hemihydrate.

Project description:The structure of the title hydrated salt, C19H28N2 2+·2Cl-·0.5H2O, at 150 K has monoclinic (C2/c) symmetry. The water mol-ecule is located on a twofold rotation axis.

| S-EPMC9462366 | biostudies-literature

Chloridobis(ethane-1,2-diamine)(4-methyl-aniline)cobalt(III) dichloride monohydrate.

Project description:In the title compound, [CoCl(C(2)H(8)N(2))(2)(C(7)H(9)N)]Cl(2)·H(2)O, the Co(III) ion has a distorted octa-hedral coordination environment and is surrounded by four N atoms in an equatorial plane, with the other N and Cl atoms occupying the axial positions. The crystal packing is stabilized by N-H?O, N-H?Cl and O-H?Cl inter-actions.

| S-EPMC2971162 | biostudies-literature

cis-Chlorido(methyl-amine)-bis-(propane-1,3-diamine)-cobalt(III) dichloride monohydrate.

Project description:In the title compound, [CoCl(CH5N)(C3H10N2)2]Cl2·H2O, the Co(III) ion has an octa-hedral coordination environment and is surrounded by four N atoms of two propane-1,3-diamine ligands in the equatorial plane, with another N atom of the methylamine ligand and a Cl atom occupying the axial positions. The crystal packing is stabilized by inter-molecular N-H⋯O, N-H⋯Cl, and O-H⋯Cl inter-actions, generating a three-dimensional network.

| S-EPMC3629484 | biostudies-literature

1,1'-[(5-Hy-droxy-methyl-1,3-phenyl-ene)bis-(methyl-ene)]dipyridin-4(1H)-one monohydrate.

Project description:The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol-ecule plus a water mol-ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68 (8) and 83.65 (8)°]. The C-O bond of the hy-droxy group subtends an angle of 31.71 (10)° with the plane through the central aromatic ring. The crystal packing is mediated by the presence of several O-H⋯O hydrogen-bonding inter-actions and while the water mol-ecules form a C(2) (1)(4) chain parallel to the c axis of the unit cell, the pendant hy-droxy groups are engaged in O-H⋯O=C hydrogen bonds described by a C(1) (1)(12) graph-set motif which runs parallel to the a axis.

| S-EPMC3152136 | biostudies-literature

Tris(ethyl-enediamine)zinc(II) dichloride monohydrate.

Project description:The asymmetric unit of the title compound, [Zn(C(2)H(8)N(2))(3)]Cl(2)·H(2)O, contains a discrete [Zn(C(2)H(8)N(2))(3)](2+) cation with a distorted octa-hedral geometry around Zn, two uncoordinated chloride ions and one water mol-ecule. The crystal structure exhibits N-H⋯O, N-H⋯Cl and O-H⋯O hydrogen bonds.

| S-EPMC2959473 | biostudies-literature

3,3,3',3'-Tetra-methyl-6,6'-bis-[(pyridin-4-yl)meth-oxy]-1,1'-spiro-biindane -monohydrate.

Project description:The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol-ecule and a water mol-ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06?(5)°. The two five-membered rings of the indane groups have envelope conformations with the methyl-ene atoms adjacent to the spiro C atom forming the flaps. They have deviations from the mean plane of the other four atoms in the rings of 0.374?(4) and 0.362?(4)?Å. In the crystal, molecules are linked to form inversion dimers via O-H?N hydrogen bonds involving the pyridine N atoms and the solvent water mol-ecule. The dimers are linked into a chain along the b axis by ?-? stacking inter-actions between a pyridine ring and its centrosymmetrically related ring in an adjacent dimer. The centroid-centroid distance between the planes is 3.7756?(17)?Å, the perpendicular distance is 3.4478?(11)?Å and the offset is 1.539?Å.

| S-EPMC3379348 | biostudies-literature

Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

Project description:In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76?(5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H?O hydrogen bonds and sustained by C-H?O contacts. The linking of the anions and water mol-ecules with the cations by N-H?O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C-H?? inter-actions.

| S-EPMC2971361 | biostudies-literature

1,1'-[1,4-Phenyl-enebis(methyl-ene)]bis-(2-methyl-1H-imidazol-3-ium) 2,4-dicarb-oxy-benzene-1,5-dicarboxyl-ate monohydrate.

Project description:In the dication of the title compound, C(16)H(20)N(4) (2+)·C(10)H(4)O(8) (2-)·H(2)O, the dihedral angles formed by mean planes of the imidazolium rings and the benzene ring are 69.05?(18) and 89.1?(2)°. In the crystal, the components are linked into a three-dimensional network by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC3151773 | biostudies-literature

Bis(2,2'-bipyridine-?N,N')dichlorido-platinum(IV) dichloride monohydrate.

Project description:In the title complex, [PtCl(2)(C(10)H(8)N(2))(2)]Cl(2)·H(2)O, the Pt(4+) ion is six-coordinated in a distorted octa-hedral environment by four N atoms from the two 2,2'-bipyridine ligands and two Cl atoms. As a result of the different trans influences of the N and Cl atoms, the Pt-N bonds trans to the Cl atom are slightly longer than those trans to the N atom. The compound displays inter-molecular hydrogen bonding between the water mol-ecule and the Cl anions. There are inter-molecular ?-? inter-actions between adjacent pyridine rings, with a centroid-centroid distance of 3.962?Å.

| S-EPMC2968269 | 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