Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Reiss GJ

PROVIDER: S-EPMC3793753 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Reiss Guido J GJ

Acta crystallographica. Section E, Structure reports online 20130713 Pt 8

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 w ...[more]

PMID: 24109340

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 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

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

(Dimethyl-phosphor-yl)methanaminium chloride.

Project description: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.

| S-EPMC3470250 | biostudies-literature

Bis[(di-methyl-phosphor-yl)methan-amin-ium] tetra-chlorido-palladate(II).

Project description:In the crystal structure of the title compound, (C3H11NOP)2[PdCl4], (di-methyl-phosphor-yl)methanaminium (dpmaH(+)) cations are connected head-to-tail by strong N-H?O hydrogen bonds, forming inversion-related cyclic dimers. The square-planar [PdCl4](2-) counter-dianion is located about a center of inversion. The dications and the [PdCl4](2-) dianions are connected by medium-strong N-H?Cl hydrogen bonds, forming zigzag chains parallel to [001]. Somewhat weaker N-H?Cl hydrogen bonds connect the chains into a three-dimensional network.

| S-EPMC3884266 | biostudies-other

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

Crystal structure of tris-(di-methyl-amido-?N)-bis-(di-methyl-amine-?N)-zirconium(IV) iodide.

Project description:Zirconium amides have become increasingly popular and useful due to their widespread use as precursors to other zirconium complexes and their use in the production of solid oxide fuel cells (SOFCs). Herein we report the mol-ecular structure of tris-(di-methyl-amido)-bis-(di-methyl-amine)-zirconium(IV) iodide, [Zr(C2H6N)3(C2H7N)2]I. The bond lengths and bond angles are consistent with a slightly distorted trigonal-bipyramidal coordination geometry around the metal atom. N?I contacts of 3.6153?(15) and 3.5922?(14)?Å are consistent with the presence of N-H?I inter-actions. These N-H?I inter-actions link the complex cations and iodide anions into extended chains that propagate parallel to the a axis.

| S-EPMC4704753 | biostudies-literature

(1,2-Dicarba-closo-dodeca-boran-yl)trimethyl-methanaminium iodide.

Project description:The title compound, [1-(CH(3))(3)NCH(2)-1,2-C(2)B(10)H(11)](+)·I(-) or C(6)H(22)B(10)N(+)·I(-), was obtained by the reaction of (1,2-dicarba-closo-dodeca-boran-yl)dimethyl-methanamine with methyl iodide. The asymmetric unit contains two iodide anions and two (o-carboran-yl)tetra-methyl-ammonium cations. The bond lengths and angles in the carborane cage are within normal ranges, but the N-C(methyl-ene)-C(cage) angle is very large [120.2?(2)°] because of repulsion between the carborane and tetra-methyl-ammonium units. In the crystal, ions are linked through C-H?I hydrogen bonds.

| S-EPMC3213586 | biostudies-literature

Methyl N-(di-meth-oxy-phosphor-yl)carbamate.

Project description:In the title compound, CH3OC(O)NHP(O)(OCH3)2, the P atom has a slightly distorted tetra-hedral configuration. The mixed imide moiety can be described as cisoid-transoid in which the two opposing dipoles (P=O and C=O) are oriented with a O=C?P=O torsion angle of 150.88(18)°. In the crystal, molecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC3770442 | biostudies-other

Crystal structure of 4-{2-[4-(di-methyl-amino)-phen-yl]diazen-1-yl}-1-methyl-pyridinium iodide.

Project description:The mol-ecular geometry of the ionic title compound, C14H17N4 (+)·I(-) or DAZOP(+)·I(-), is essentially featureless. Regarding the crystal structure, in addition to the obvious cation-anion Coulombic inter-actions, the packing is mostly directed by non-covalent inter-actions involving both ring systems, as well as the iodide anion. It consists of cationic mol-ecules aligned along [101] and disposed in an anti-parallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid-centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C-H⋯I and I⋯π (I⋯centroid = 3.876 Å) inter-actions involving the anion. Finally, inter-dimeric contacts are of the C-H⋯I and C-H⋯π types.

| S-EPMC4719983 | 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