Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Dimethyl-phosphor-yl)methanaminium chloride.

ABSTRACT: The crystal structure of the title salt, C(3)H(11)NOP(+)·Cl(-), is primarily built from centrosymmetric dimers of two cations, connected head-to-tail by two charge-supported strong N-H?O hydrogen bonds, with a graph-set descriptor R(2) (2)(10). The chloride counter-anions connect these dimeric cationic units into chains along the a-axis direction.

SUBMITTER: Reiss GJ

PROVIDER: S-EPMC3470250 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Dimethyl-phosphor-yl)methanaminium chloride.

Reiss Guido J GJ Jörgens Stefan S

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

The crystal structure of the title salt, C(3)H(11)NOP(+)·Cl(-), is primarily built from centrosymmetric dimers of two cations, connected head-to-tail by two charge-supported strong N-H⋯O hydrogen bonds, with a graph-set descriptor R(2) (2)(10). The chloride counter-anions connect these dimeric cationic units into chains along the a-axis direction. ...[more]

PMID: 23125694

Similar Datasets

(Di-methyl-phosphor-yl)methanaminium nitrate.

Project description:In the crystal of the title salt, C3H11NOP(+)·NO3 (-), dicationic inversion dimers are head-to-tail connected by a pair of strong N-H?O hydrogen bonds. The resulting graph-set descriptor of this ring system is R 2 (2)(10). The nitrate counter-anions connect the dicationic dimers via N-H?O hydrogen bonds, forming two-dimensional networks in the bc plane.

| S-EPMC3884308 | biostudies-literature

(Di-methyl-phosphor-yl)methanaminium iodide-(di-methyl-phosphor-yl)methan-amine (1/1).

Project description:The asymmetric unit of the title structure, C3H11NOP(+)·I(-)·C3H10NOP, consists of one (di-methyl-phosphor-yl)methanamine (dpma) mol-ecule, one (di-methyl-phosphor-yl)methanaminium (dpmaH) ion and one iodide counter-anion. In the crystal, medium-strong to weak N-H?O and N-H?N hydrogen bonds connect dpmaH cations and dpma mol-ecules into strands along [001]. The iodide counter-anions form only very weak hydrogen bonds. The crystal used for the diffraction study was found to be an inversion twin with a ratio of 0.83?(2):0.17?(2). The title structure is isotypic to that of dpmaH[ClO4]·dpma [Buhl et al. (2013 ?). Crystals 3, 350-362].

| S-EPMC3793753 | biostudies-literature

(4-Meth-oxy-phen-yl)methanaminium chloride.

Project description:In the crystal structure of the title salt, C(8)H(12)NO(+)·Cl(-), the methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s. deviation from the mean plane of only 0.005 Å. The ammonium N atom deviates from this plane by 1.403 (1) Å. In the crystal, the (4-meth-oxy-phen-yl)methan-aminium cations and chloride anions are linked by N-H⋯Cl and C-H⋯O hydrogen bonds, resulting in an open framework architecture with hydrogen-bonded ammonium groups and chloride anions located in layers parallel to (011), separated by more hydrophobic layers with interdigitating anisole groups.

| S-EPMC3051976 | biostudies-literature

(Di-methyl-phosphor-yl)methanaminium hydrogen oxalate-oxalic acid (2/1).

Project description:The reaction of (di-methyl-phosphor-yl)methanamine (dpma) with oxalic acid in ethanol yielded the title solvated salt, C3H11NOP(+)·C2HO4 (-)·0.5C2H2O4. Its asymmetric unit consists of one dpmaH(+) cation, one hydrogen oxalate anion and a half-mol-ecule of oxalic acid located around a twofold rotation axis. The H atom of the hydrogen oxalate anion is statistically disordered over two positions that are trans to each other. The hydrogen oxalate monoanion is not planar (bend angle ∼16°) whereas the oxalic acid molecule shows a significantly smaller bend angle (∼7°). In the crystal, the components are connected by strong O-H⋯O and much weaker N-H⋯O hydrogen bonds, leading to the formation of layers extending parallel to (001). The structure was refined from a racemically twinned crystal with twin components in an approximate 1:1 ratio.

| S-EPMC3998424 | biostudies-literature

(4-Chloro-phen-yl)methanaminium chloride hemihydrate.

Project description:In the title hydrated salt, C(7)H(9)ClN(+)·Cl(-)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. In the crystal, the monoprotonated 4-chloro-benzyl-ammonium cation forms N-H?Cl and N-H?O hydrogen bonds and the water mol-ecule forms O-H?Cl hydrogen bonds, generating layers lying parallel to the bc plane.

| S-EPMC3006684 | biostudies-other

rac-{[2-(Diphenyl-thio-phosphor-yl)ferrocen-yl]meth-yl}dimethyl-ammonium diphenyl-dithio-phosphinate.

Project description:2-(Diphenyl-thio-phosphino)dimethyl-amino-methyl-ferrocene is a key inter-mediate in the synthesis of various ferrocenyl ligands. During one such synthesis, the title compound, [Fe(C(5)H(5))(C(20)H(22)NPS)](C(12)H(10)PS(2)), was isolated as a by-product. It is built up by association of (2-(diphenyl-phosphino)ferrocen-yl)meth-yl)dimethyl-ammonium cations and diphenyl-phosphino dithio-ate anions. N-H?S, C-H?S and C-H?? inter-actions link the anions and cations. Each anion-cation pair is linked two by two through C-H?? inter-actions, forming pseudo dimers.

| S-EPMC3343798 | biostudies-literature

Pseudosymmetric fac-di-aqua-trichlorido[(di-methyl-phosphor-yl)methanaminium-?O]manganese(II).

Project description:In the title compound, [Mn(C3H11NOP)Cl3(H2O)2], the Mn(II) metal center has a distorted o-cta-hedral geometry, coordinated by the three chloride ligands showing a facial arrangement. Two water mol-ecules and the O-coordinated dpmaH cation [dpmaH = (di-methyl-phosphor-yl)methanaminium] complete the coordination sphere. Each complex mol-ecule is connected to its neighbours by O-H?Cl and N-H?Cl hydrogen bonds. Two of the chloride ligands and the two water ligands form a hydrogen-bonded polymeric sheet in the ab plane. Furthermore, these planes are connected to adjacent planes by hydrogen bonds from the aminium function of cationic dpmaH ligand. A pseudo-mirror plane perpendicular to the b axis in the chiral space group P21 is observed together with inversion twinning [ratio = 0.864?(5):0.136?(5)].

| S-EPMC3647798 | biostudies-other

(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,-9,10,10a-octa-hydro-phenanthren-1-yl)-methanaminium 4-toluene-sulfonate.

Project description:In the title compound, C(20)H(32)N(+)·C(7)H(7)O(3)S(-), the configurations of the two chiral centers observed in the protonated cation are consistent with previous reports. In the crystal structure, weak inter-molecular N-H⋯O hydrogen bonds link ions into chains which develop along the a axis. The isopropyl group and four CH groups of the attached benzene ring are disordered approximately equally over two positions.

| S-EPMC2961293 | biostudies-literature

trans-Dichlorido-tetra-kis-[(di-methyl-phosphor-yl)methanaminium-?O]cobalt(II) tetra-chloridocobaltate(II).

Project description:The asymmetric unit of the title structure, [CoCl2(C3H11NOP)4][CoCl4]2, consists of one half of the trans-dichlorido-tetra-kis-[(di-methyl-phosphor-yl)methanaminium]cobalt(II) tetra-cation lying on an inversion center and one tetra-chloridocobaltate(II) dianion on a general position. Four O-coordinated cationic (di-methyl-phosphor-yl)methanaminium (dpmaH(+)) ligands occupy the equatorial coordination sites, whereas the chloride ligands occupy axial positions of the roughly o-cta-hedral coordination polyhedron of the cobalt metal center. Intra-molecular hydrogen bonds between the aminium groups and the O atom of the phosphoryl groups and additional hydrogen bonds between the aminium groups and the chloride ligands are present. Furthermore, four of the six H atoms not involved in intra-molecular bonding of each cobalt(II) tetra-cation form weak hydrogen bonds to four adjacent tetra-chloridocobaltate(II) counter-anions. By these inter-molecular hydrogen bonds, one-dimensional polymeric strands are formed along the b-axis direction. The hydrogen bonding is analyzed using the graph-set method and the structural similarity with dpmaHCl is discussed.

| S-EPMC3647797 | biostudies-other

Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.

Project description:In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13 (15)°. π-π stacking inter-actions are observed between the closest pyrazole rings of neighboring chains [centroid-centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O-H⋯Cl hydrogen bonds are formed.

| S-EPMC3393332 | 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