Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-Methyl-4-styrylpyridinium iodide monohydrate.

ABSTRACT: In the title compound, C(14)H(14)N(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 2.55?(7)° between the pyridinium and phenyl rings, and exists in an E configuration with respect to the ethenyl bond. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The cation is linked to the water mol-ecule by a weak C-H?O inter-action, and the water mol-ecule is further linked to the I(-) ion by O-H?I hydrogen bonds. The crystal structure is consolidated by these inter-actions and is further stabilized by a ?-? inter-action between the pyridinium and phenyl rings with a centroid-centroid distance of 3.6850?(8)?Å.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2971221 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-1-Methyl-4-styrylpyridinium iodide monohydrate.

Fun Hoong-Kun HK Chantrapromma Suchada S Surasit Chanasuk C Chanawanno Kullapa K

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

In the title compound, C(14)H(14)N(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 2.55 (7)° between the pyridinium and phenyl rings, and exists in an E configuration with respect to the ethenyl bond. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The cation is linked to the water mol-ecule by a weak C-H⋯O inter-action, and the water mol-ecule is further linked to the I(-) ion by O-H⋯I hydrogen bonds. The crystal structure ...[more]

PMID: 21578284

Similar Datasets

(E)-1-Methyl-2-styrylpyridinium iodide.

Project description:In the title compound, C(14)H(14)N(+)·I(-), the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted, the inter-planar angle between the pyridinium and phenyl rings of the cation being 4.8?(2)°. In the crystal packing, the cations are stacked in an anti-parallel fashion along the a axis by a ?-? inter-action involving both pyridinium and phenyl rings; the centroid-centroid distance is 3.542?(3)?Å. Each iodide ion is sandwiched between two cations. The cations and iodide anions are linked together by weak C-H?I inter-actions, giving rise to ladder-like ribbons along the a axis.

| S-EPMC2977224 | biostudies-literature

Bis[(E)-1-methyl-4-styrylpyridinium] 4-chloro-benzene-sulfonate iodide.

Project description:In the title compound, 2C(14)H(14)N(+)·C(6)H(4)ClO(3)S(-)·I(-), each cation exists in an E configuration with respect to the ethenyl bond. The dihedral angle between the pyridinium and benzene rings is 3.98?(6)° in one of the cations and 9.88?(7)° in the other. The two cations are arranged in an anti-parallel manner with ?-? inter-actions between pyridinium and benzene rings [centroid-centroid distance = 3.5805?(8)?Å]. The benzene ring of the anion makes dihedral angles of 61.20?(6) and 64.25?(6)° with the pyridinium rings of the two cations. In the crystal, the cations are stacked in an anti-parallel manner along the a axis, while the anions are linked into chains along the same direction. The ions are linked into a three-dimensional network by C-H?I and C-H?O hydrogen bonds and C-H?? inter-actions. The crystal under investigation was an inversion twin, with a ratio of 61.7?(5):38.3?(5) for the two components.

| S-EPMC2971032 | biostudies-literature

Bis[(E)-1-methyl-4-styrylpyridinium] 4-bromo-benzene-sulfonate iodide.

Project description:In the title compound, 2C(14)H(14)N(+)·C(6)H(4)BrO(3)S(-)·I(-), two crystallographically independent cations exist in an E configuration with respect to the C=C ethenyl bond. One cation is approximately planar, whereas the other is twisted slightly, the dihedral angles between the pyridinium and phenyl rings of each cation being 0.96?(15) and 7.05?(16)°. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis through weak C-H?? inter-actions and ?-? inter-actions, with centroid-centroid distances of 3.5544?(19) and 3.699?(2)?Å. The 4-bromobenzene-sulfonate anions and the cations are linked together by weak C-H?O inter-actions. A short Br?I contact [3.6373?(4)?Å] and C-H?I interactions are also observed.

| S-EPMC2979384 | biostudies-literature

1-(4-Ferrocenylphen-yl)-3-methyl-imidazolium iodide monohydrate.

Project description:In the title compound, [Fe(C(5)H(5))(C(15)H(14)N(2))]I·H(2)O, the benzene and imidazolium rings are twisted by 17.26?(17) and 32.53?(19)°, respectively, with respect to the ?(5)-C(5)H(4) plane of the ferrocenyl unit. The imidazolium ring is rotated by 48.81?(17)° with respect to the benzene ring. The packing is dominated by layers established by O-H?I, C-H?I and C-H?O contacts and propagating along the bc plane.

| S-EPMC2980222 | biostudies-literature

Melaminium iodide monohydrate.

Project description:In the title melaminium salt, 2,4,6-triamino-1,3,5-triazin-1-ium iodide monohydrate, C(3)H(7)N(6) (+)·I(-)·H(2)O, the components are linked via N-H?O, N-H?N, O-H?I and N-H?I hydrogen bonds. All of the H atoms of the melaminium cation are involved in hydrogen bonds. The melaminium cations are inter-connected by four N-H?N hydrogen bonds, forming ribbons along [111]. The water mol-ecules connected by N-H?O hydrogen bonds also form part of these ribbons. The ribbons are inter-connected by other hydrogen bonds (O-H?I and N-H?I), as well as by ?-? inter-actions [centroid-centroid distance = 3.6597?(17)?Å].

| S-EPMC2979653 | biostudies-literature

2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-pyridinium iodide monohydrate.

Project description:In the title compound, C(16)H(18)NO(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 3.13?(16)° between the pyridinium and benzene rings. The mol-ecule adopts an E configuration with respect to the alkene double bond. In the crystal structure, the cations are packed in an anti--parallel manner through ?-? inter-actions between adjacent pyridinium and benzene rings along the a axis, with centroid-to-centroid distances of 3.615?(2) and 3.630?(2)?Å. Water mol-ecules bind the iodide ions through O-H?I hydrogen bonds into layers. These layers link with the cations through weak C-H?O and C-H?I inter-actions.

| S-EPMC2915214 | biostudies-literature

3-Cyano-anilinium iodide monohydrate.

Project description:In the crystal structure of the title compound, C(7)H(7)N(2) (+)·I(-)·H(2)O, [C(7)H(7)N(2) (+)](n) chains extending along the a-axis direction are linked via N-H?N hydrogen bonds. The cations are further connected to the anions by N-H?I, N-H?O and O-H?I hydrogen bonds, leading to the formation of a sheet parallel to the ac plane. ?-? inter-actions [centroid-centroid distance = 3.8378?(7)?Å] link the sheets into a three-dimensional network.

| S-EPMC3011625 | biostudies-literature

9-O-Ethyl-berberrubinium iodide monohydrate.

Project description:In the title compound (systematic name9-eth-oxy-10-meth-oxy-5,6-dihydro-1,3-dioxolo[4,5-g]isoquinolino-[3,2-a]isoquin-olin-7-ium iodide monohydrate), 2C(21)H(20)NO(4) (+)·2I(-)·H(2)O, two independent mol-ecules pack in the unit cell, where interactions between the molecules are stabilized by weak inter-molecular ?-? stacking inter-actions [centroid-centroid distances in the range 3.571?(4) to 3.815?(4)Å]. Inter-molecular C-H?O inter-actions are also observed. The iodide anions are disordered with occupancy ratios of 0.94?(1):0.06?(1) and 0.91?(1):0.09?(1). The cationic molecule is planar in structure with a small torsion resulting from the dihydropyridine ring.

| S-EPMC2983369 | biostudies-literature

1-Methyl-4-[(1E,3E)-4-phenyl-buta-1,3-dien-yl]pyridinium iodide monohydrate.

Project description:The asymmetric unit of the title compound, C(16)H(16)N(+)·I(-)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl-buta-1,3-dien-yl]}pyridinium cations, two iodide ions and two solvent water mol-ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68?(18)° in one mol-ecule and 18.9?(3)° in the other. The two water mol-ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol-ecules located between adjacent cations. The cations are linked to the iodide ions and water mol-ecules by weak C-H?I and C-H?O inter-actions, respectively. These inter-actions together with O-H?I hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane. ??? inter-actions with a centroid-centroid distance of 3.669?(2)?Å are also observed.

| S-EPMC2983716 | biostudies-other

2-Cyano-1-methyl-pyridinium iodide.

Project description:The cation in the title compound, C7H7N2 (+)·I(-), is planar (r.m.s. deviation for the nine fitted non-H atoms = 0.040?Å). The crystal packing is best described as undulating layers of cations and anions associated via C-H?I inter-actions.

| S-EPMC3793776 | 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