Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Onyancha D

PROVIDER: S-EPMC2980222 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Onyancha Douglas D McCleland Cedric C Gerber Thomas T Hosten Eric E Mayer Peter P

Acta crystallographica. Section E, Structure reports online 20091212 Pt 1

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 η(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. ...[more]

PMID: 21579946

Similar Datasets

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

2-Hy-droxy-methyl-1,3-dimethyl-imidazolium iodide.

Project description:The crystal packing of the title compound, C(6)H(11)N(2)O(+)·I(-), can be described as inter-calated layers lying parallel to (010), with the iodide ions located between the cations. A weak intra-molecular C-H?O hydrogen bond occurs within the cation. In the crystal, inter-molecular O-H?I hydrogen bonds result in the formation of a three-dimensional network and reinforce the cohesion of the ionic structure.

| S-EPMC3212284 | biostudies-literature

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

Project description: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.

| S-EPMC2971221 | biostudies-literature

1-Methyl-3-n-tetra-decyl-imidazolium bromide monohydrate.

Project description:In the title ionic liquid salt hydrate, C(18)H(35)N(2) (+)·Br(-)·H(2)O, the side chain in the cation has an extended conformation. The crystal structure is stabilized primarily by O-H⋯Br hydrogen bonds. C-H⋯O and C-H⋯Br inter-actions are also present.

| S-EPMC2970956 | biostudies-literature

1-Hexadecyl-3-methyl-imidazolium bromide monohydrate.

Project description:In the crystal structure of the title compound, C(20)H(39)N(2) (+)·Br(-)·H(2)O, the 1-hexa-decyl-3-methyl-imidazolium cations are stacked along the b axis, forming channels parallel to [100] which are occupied by the bromide anions and water mol-ecules. The crystal is stabilized by O-H?Br, C-H?O and C-H?Br hydrogen-bonding inter-actions, generating a two-dimensional network.

| S-EPMC2977825 | biostudies-other

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methylpyridinium iodide monohydrate.

Project description:In the title compound, C(14)H(13)ClN(+)·I(-)·H(2)O, the cation is nearly planar and exists in an E configuration; the dihedral angle between the pyridinium and benzene rings is 0.98?(17)°. The cations stack in an anti-parallel manner along the a axis through two ?-? inter-actions between the pyridinium and benzene rings [centroid-centroid distances 3.569?(2) and 3.6818?(13)?Å, respectively]. The cation, anion and water mol-ecule are linked into a chain along the a axis by weak C-H?O and C-H?I inter-actions together with O-H?I hydrogen bonds and the chains are further connected into a three-dimensional network.

| S-EPMC2959251 | biostudies-literature

1,3-Bis[(6-methyl-2-pyrid-yl)meth-yl]imidazolium bromide.

Project description:The title compound, C(17)H(19)N(4) (+)·Br(-), is built up from 1,3-bis-[(6-methyl-2-pyridin-yl)meth-yl]imidazolium cations and bromide anions. Each of two 6-methyl-2-pyridyl rings is rotated out of the imidazole plane, making dihedral angles of 79.90?(9) and 86.40?(9)°. The packing is consolidated by aromatic ?-? inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.554?(2)?Å] and by weak C-H?N and C-H?Br hydrogen bonds.

| S-EPMC2968481 | 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

1,3-Bis(carboxy-meth-yl)imidazolium triiodide 1-carboxyl-atomethyl-3-carboxy-methyl-imidazolium.

Project description:In the title compound, C(7)H(9)N(2)O(4) (+)·I(3) (-)·C(7)H(8)N(2)O(4), the two imidazolium units are hydrogen bonded through the carboxyl groups. The units are further linked via inter-molecular O-H?O hydrogen bonding, resulting in a one-dimensional ladder-type structure. As a result, the two carb-oxy groups of each imidazolium unit adopt a cis configuration with respect to the imidazolium ring.

| S-EPMC2977287 | 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

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