Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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)].

SUBMITTER: Reiss GJ

PROVIDER: S-EPMC3647798 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Reiss Guido J GJ

Acta crystallographica. Section E, Structure reports online 20130410 Pt 5

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 sh ...[more]

PMID: 23723764

Similar Datasets

(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

(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

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-literature

fac-Aqua-dichloridotris(tetra-methyl-ene sulfoxide-?S)ruthenium(II).

Project description:The title mol-ecule, [RuCl(2)(C(4)H(8)OS)(3)(H(2)O)], is the isomer with the two chloride ligands cis and the three S-coordinated tetra-methyl-ene sulfoxide ligands facial relative to the Ru(II) center. The Ru-Cl distances are 2.4161?(7) and 2.4317?(7)?Å, the Ru-O distance is 2.1540?(19)?Å, and the Ru-S distances are in the range 2.2254?(8)-2.2657?(7)?Å, with the shortest being that trans to the aqua ligand. The coordinated water mol-ecule forms inter-molecular hydrogen bonds with Cl and sulfoxide O atoms.

| S-EPMC2968404 | biostudies-literature

catena-Poly[[[aqua-manganese(II)]-di-μ-sulfato-[aqua-manganese(II)]-μ-N,N,N',N'-tetra-kis(2-pyridylmeth-yl)hexane-1,6-diamine] hexa-hydrate].

Project description:In the polymeric title compound, {[Mn(2)(SO(4))(2)(C(30)H(36)N(6))(H(2)O)(2)]·6H(2)O}(n), the two Mn(2+) ions are bridged by two sulfate anions to form dinuclear complexes, and these dinuclear species are linked by the hexa-dentate ligand N,N,N',N'-tetra-kis(2-pyridylmeth-yl)hexane-1,6-diamine (tphn), forming a one-dimensional chain structure running in the [101] direction. The repeat unit of the polymer, Mn(2)(SO(4))(2)(H(2)O)(2)(tphn), is disposed about a twofold axis passing through the centre of the dinuclear unit. The coordination geometry around the Mn centre is distorted octa-hedral. Two methylene groups are each disordered equally over two positions.

| S-EPMC2914929 | biostudies-literature

Penta-aqua-(di-methyl-formamide)-cobalt(II) sulfate di-methyl-formamide monosolvate.

Project description:The title compound, [Co(C3H7NO)(H2O)5]SO4·C3H7NO, contains five aqua ligands, a Co(II) atom, a sulfate ion and both a coordinating and a non-coordinating di-methyl-formamide (DMF) mol-ecule. The DMF solvent mol-ecule lies between the complex units, which are located along the b axis. The sulfate ion is for charge balance. The Co(II) atom has distorted octa-hedral coordination geometry, being ligated by five aqua ligands and the O atom of the DMF ligand. O-H?O hydrogen bonds between the aqua ligands and the sulfate anion and non-coordinating DMF molecule lead to the formation of a three-dimensional network. Since all constituents lie on a mirror plane, the H atoms of all methyl groups and of one of the aqua ligands are equally disordered over two positions.

| S-EPMC3772413 | biostudies-literature

Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.

Project description:A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine (L1) is reported. The single-crystal X-ray structure of aqua-[aqua/chlorido-(0.49/0.51)](2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) 0.49-chloride 1.51-hydrate, [CuCl1.51(C10H13N7S)(H2O)1.49]Cl0.49·1.51H2O or [(L1)Cl1.51(H2O)1.49Cu]0.49Cl·1.51H2O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal-chelate ring is in a boat conformation, and short inter-molecular S⋯S inter-actions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supra-molecular inter-actions as both a hydrogen-bond donor and acceptor, and multiple inter-actions with lattice solvent water mol-ecules are present in the reported structure.

| S-EPMC5730312 | 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

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

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