Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[4-(Dimethyl-amino)styr-yl]-1-methyl-quinolinium iodide sesquihydrate.

ABSTRACT: In the title compound, C(20)H(21)N(2) (+.)I(-)·1.5H(2)O, the cation exists in the E configuration and is not planar. The dihedral angle between the quinolinium and dimethyl-amino-phenyl rings is 9.26?(6)°. The O atom of one of the solvent water mol-ecules lies on a twofold rotation axis. In the crystal structure, the cations form one-dimensional zigzag chains along the [001] direction. The cations are linked to water mol-ecules and iodide ions through weak C-H?O and C-H?I inter-actions, respectively. Water mol-ecules and iodide ions form O-H?O and O-H?I hydrogen bonds, which stabilize the crystal structure. A C-H?? inter-action is also present.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC2961130 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-2-[4-(Dimethyl-amino)styr-yl]-1-methyl-quinolinium iodide sesquihydrate.

Chantrapromma Suchada S Kobkeatthawin Thawanrat T Chanawanno Kullapa K Karalai Chatchanok C Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20080418 Pt 5

In the title compound, C(20)H(21)N(2) (+.)I(-)·1.5H(2)O, the cation exists in the E configuration and is not planar. The dihedral angle between the quinolinium and dimethyl-amino-phenyl rings is 9.26 (6)°. The O atom of one of the solvent water mol-ecules lies on a twofold rotation axis. In the crystal structure, the cations form one-dimensional zigzag chains along the [001] direction. The cations are linked to water mol-ecules and iodide ions through weak C-H⋯O and C-H⋯I inter-actions, respecti ...[more]

PMID: 21202361

Similar Datasets

(E)-2-[4-(Dimethyl-amino)styr-yl]-1-methyl-quinolinium 4-methyl-benzene-sulfonate monohydrate.

Project description:In the title compound, C(20)H(21)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the cation is essentially planar, as indicated by the dihedral angle of 2.79 (13)° between the quinolinium and the dimethylaminophenyl rings, and exists in the E configuration. The π-conjugated planes of the cation and the anion are inclined to each other at a dihedral angle of 66.95 (12)°. The cation is linked to the anion through C-H⋯O hydrogen bonds and the anion is further linked with the water mol-ecule by O-H⋯O hydrogen bonds, forming a three-mol-ecule unit. These units are arranged in a face-to-face manner into a ribbon-like structure along the b axis. The ribbons are stacked along the c axis. The crystal structure is further stabilized by C-H⋯π inter-actions involving the dimethyl-amino-phenyl and methyl-phenyl rings. A π-π inter-action with a centroid-centroid distance of 3.6074 (19) Å is also observed.

| S-EPMC2967986 | biostudies-literature

(E)-2-[4-(Dimethyl-amino)styr-yl]-1-methyl-quinolinium 4-methoxy-benzene-sulfonate monohydrate.

Project description:In the title compound, C(20)H(21)N(2) (+)·C(7)H(7)O(4)S(-)·H(2)O, the cation is nearly planar and exists in the E configuration. The cations and anions form individual chains along the b axis and are inter-connected by weak C-H?O inter-actions. The 4-methoxy-benzensulfonate anions are linked to water mol-ecules through O-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure is further stabilized by a C-H?? inter-action involving the methoxy-phenyl ring. The sulfonate anion is also involved in a weak intra-molecular C-H?O inter-action which generates an S(5) ring motif.

| S-EPMC2960777 | biostudies-literature

2-[(E)-4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium iodide.

Project description:In the title compound, C(18)H(23)N(2) (+)·I(-), the cation exists in the E configuration with respect to the ethenyl C=C bond. The pyridinium and benzene rings are nearly coplanar, making a dihedral angle of 4.63?(7)°. The two ethyl groups of the diethyl-amino substituent point in opposite directions with respect to the benzene plane. In the crystal, the cation and the iodide anion are linked by a weak C-H?I inter-action. The cations are stacked in an anti-parallel manner along the a axis by a ?-? inter-action with a centroid-centroid distance of 3.5262?(9)?Å. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC2983428 | biostudies-literature

(E)-2-[4-(Dimethyl-amino)-styr-yl]-1-methyl-pyridinium triiodide.

Project description:The asymmetric unit of the title compound, C(16)H(19)N(2) (+)·I(3) (-), contains a (E)-2-[4-(dimethyl-amino)-styr-yl)-1-methyl-pyrid-in-ium cation and half each of two triiodide anions. The complete triiodide anions are each generated by inversion symmetry. The planar cation has all of its eighteen non-H atoms situated on a mirror plane. In the crystal, the cations are stacked along the b axis by ?-? inter-actions with a centroid-centroid distance of 3.5757?(13)?Å. The triiodide anions are located between the cations. The crystal structure is further consolidated by short C?C [3.322?(9)-3.3952?(19)?Å] contacts.

| S-EPMC3213589 | biostudies-literature

(E)-2-[4-(Di-ethyl-amino)-styr-yl]-1-methyl-quinolinium 4-fluoro-benzene-sulfonate monohydrate.

Project description:In the title hydrated molecular salt, C22H25N2 (+)·C6H4FO3S(-)·H2O, the cation displays whole mol-ecule disorder over two sets of sites in a 0.780?(5):0.220?(5) ratio. The quinolinium ring system is essentially planar, with r.m.s. deviations of 0.0162 and 0.0381?Å for the major and minor disorder components, respectively. The dihedral angles between the mean plane of the quinolinium ring system and the benzene ring are 5.1?(3) and 7.7?(11)°, respectively, for the major and minor components in the cation. In the crystal, cations, anions and water mol-ecules are linked into chains along [010] by O-H?O hydrogen bonds and are further connected into a three-dimensional network by weak C-H?O and C-H?F inter-actions. In addition, ?-? inter-actions with centroid-centroid distances of 3.634?(3), 3.702?(5) and 3.838?(5)?Å are observed.

| S-EPMC3790381 | biostudies-literature

(E)-2-[4-(Dimethyl-amino)-styr-yl]-1-methyl-pyridinium 4-methyl-benzene-sulfonate monohydrate.

Project description:The cation of the title compound, C(16)H(19)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, exists in the E configuration with respect to the C=C double bond and is essentially planar, the dihedral angle between the pyridinium and benzene rings being 3.55?(13)°. In the crystal, ?-conjugated planes of cations and anions are inclined to each other at 84.30?(11)°. The crystal structure is stabilized by O-H?O hydrogen bonds and weak C-H?O inter-actions, which link the cations, anions and water mol-ecules into chains along the b axis. These chains are stacked along the a axis by ?-? inter-actions with centroid-centroid distances of 3.6032?(16) and 3.6462?(16)?Å.

| S-EPMC3007387 | biostudies-literature

[(4-Dimethyl-amino-2-methyl-5-phenyl-furan-3-yl)meth-yl]diethyl-methyl-aza-nium iodide.

Project description:In the title compound, C(19)H(29)N(2)O(+)·I(-), the dihedral angle between the mean planes of the essentially planar furan (r.m.s. deviation = 0.007?Å) and phenyl rings is 48.4?(1)°. In the crystal, cations and anions are arranged in layers lying parallel to (100).

| S-EPMC3201454 | biostudies-literature

1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium iodide.

Project description:In the title compound, C(17)H(20)NO(3) (+)·I(-), the cation exists in the E configuration. The pyridinium and benzene rings are close to coplanar, with a dihedral angle of 7.43?(12)° between them. The three meth-oxy groups of 2,4,5-trimeth-oxy-phenyl are essentially coplanar with the benzene plane, with C-O-C-C torsion angles of 1.0?(3), -1.9?(3) and 3.6?(3)°. A weak intra-molecular C-H?O inter-action generates an S(6) ring motif. In the crystal, the cations are stacked in columns in an anti-parallel manner along the a axis through ?-? inter-actions, with a centroid-centroid distance of 3.7714?(16)?Å. The iodide anion is situated between the columns and linked to the cation by a weak C-H?I inter-action.

| S-EPMC3011747 | biostudies-literature

2-[(E)-4-(Dimethyl-amino)-styr-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(16)H(19)N(2) (+)·C(6)H(4)ClO(3)S(-)·H(2)O, the 2-[4-(dimethyl-amino)-styr-yl]-1-methyl-pyridinium cation exists in an E configuration with respect to the C=C bond and is slightly twisted, with the dihedral angle between the pyridinium and benzene rings being 9.33?(10)°. In the crystal structure, the packing is stabilized by O-H?O hydrogen bonds and weak C-H?O inter-actions, which link the cations, anions and water mol-ecules into chains propagating in [010]. These chains are stacked along the a axis by ?-? inter-actions, with centroid-to-centroid distances of 3.6429?(12) and 3.6879?(12)?Å; weak C-H?? inter-actions are also observed.

| S-EPMC3009047 | biostudies-literature

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

Project description:In the title compound, C(20)H(20)NO(+)·I(-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038?Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7?(4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with ?-? inter-actions between the pyridinium and ethoxy-benzene rings [centroid-centroid distance = 3.678?(5)?Å]. The cations, iodide anions and water mol-ecules are linked together through O-H?O, O-H?I and C-H?I hydrogen bonds into a two-dimensional network parallel to (001).

| S-EPMC2984024 | 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