Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Melaminium iodide monohydrate.

ABSTRACT: 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].

SUBMITTER: Zhao MM

PROVIDER: S-EPMC2979653 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Melaminium iodide monohydrate.

Zhao Min Min MM Shi Ping Ping PP

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

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 hyd ...[more]

PMID: 21579494

Similar Datasets

Melaminium perchlorate monohydrate.

Project description:In the title hydrated salt, 2,4,6-triamino-1,3,5-triazin-1-ium perchlorate monohydrate, C(3)H(7)N(6) (+)·ClO(4) (-)·H(2)O, the constituents are linked via hydrogen bonds of the O-H?O, N-H?O, N-H?N and N-H?Cl types. All the H atoms of the melaminium cation are involved in the hydrogen bonds. The melaminium residues are inter-connected by four N-H?N hydrogen bonds, forming chains parallel to (111). The ribbons are inter-connected by other hydrogen bonds as well as by ?-? inter-actions [centroid-centroid distance = 3.8097?(7)?Å].

| S-EPMC2979602 | biostudies-literature

Crystal structure of melaminium cyano-acetate monohydrate.

Project description:The asymmetric unit of the title compound, 2,4,6-tri-amino-1,3,5-triazin-1-ium cyano-acetate monohydrate, C3H7N6 +·NCCH2COO-·H2O, consists of a melaminium cation, a cyano-acetate anion and a water mol-ecule, which are connected to each other via N-H⋯O and O-H⋯O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N-H⋯N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N-H⋯O, O-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds between the cations, anions and water mol-ecules.

| S-EPMC7534248 | 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

(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-(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 sulfate.

Project description:In the title compound, C(3)H(8)N(6) (2+)·SO(4) (2-), the melaminium cations and sulfate anions are inter-connected by N-H?N and N-H?O hydrogen bonds, forming a layer in the (101) plane. The layers are connected through multiple hydrogen bonds and ?-? stacking inter-actions (centroid-centroid distance of about 3.4?Å).

| S-EPMC2960347 | biostudies-literature

Melaminium hydrogen malonate.

Project description:The melaminium (2,4,6-triamino-1,3,5-triazin-1-ium) cation in the title compound, C(3)H(7)N(6) (+)·C(3)H(3)O(4) (-), is essentially planar, with a r.m.s. deviation of the non-H atoms of 0.0085 Å. Extensive hydrogen bonding of the types N-H⋯N and N-H⋯O between cations and cations and between cations and hydrogen malonate (2-carb-oxy-ethano-ate) anions leads to the formation of supra-molecular layers parallel to (1-2-1). An intra-molecular O-H⋯O hydrogen bond in the single deprotonated malonate anion also occurs.

| S-EPMC3414997 | biostudies-literature

cis-Aqua-bis-(2,2'-bipyrimidine-?N,N)iodidomanganese(II) iodide monohydrate.

Project description:The asymmetric unit of the title compound, [MnI(C(8)H(6)N(4))(2)(H(2)O)]I·H(2)O, consists of a cationic Mn(II) complex, an I(-) anion and a solvent water mol-ecule. In the complex, the Mn(II) ion is six-coordinated in a distorted octa-hedral environment defined by four N atoms of the two chelating 2,2'-bipyrimidine (bpym) ligands, one I(-) anion and one O atom of a water ligand. The dihedral angle between the least-squares planes of the two bpym ligands [maximum deviation = 0.092?(7)?Å] is 79.9?(1)°. In the crystal, the complex, anion and solvent water mol-ecule are linked by inter-molecular O-H?O, O-H?I and O-H?N hydrogen bonds.

| S-EPMC3201340 | biostudies-literature

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

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