Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-?O,O',O''}calcium bis(perchlorate) acetonitrile disolvate.

ABSTRACT: The title complex, [Ca(C(27)H(30)N(4)O(3))(2)](ClO(4))(2)·2CH(3)CN, is composed of centrosymmetric (CaL(2))(2+) cations [L = tris-(2-hy-droxy-benzoyl-amino-eth-yl)amine = H(3)saltren], uncoordin-ated perchlorate anions and acetonitrile solvent mol-ecules. The calcium ion is six-coordinated and is bonded to all phen-oxy O atoms from both zwitterionic saltren mol-ecules. There are strong intra-molecular N-H?O hydrogen bonds. The cations are linked into chains via weak inter-molecular C-H?O hydrogen bonds and C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.306?(3) and 3.415?(3)?Å].

SUBMITTER: Kose M

PROVIDER: S-EPMC3051774 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-κO,O',O''}calcium bis(perchlorate) acetonitrile disolvate.

Kose Muhammet M McKee Vickie V McKee Vickie V

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

The title complex, [Ca(C(27)H(30)N(4)O(3))(2)](ClO(4))(2)·2CH(3)CN, is composed of centrosymmetric (CaL(2))(2+) cations [L = tris-(2-hy-droxy-benzoyl-amino-eth-yl)amine = H(3)saltren], uncoordin-ated perchlorate anions and acetonitrile solvent mol-ecules. The calcium ion is six-coordinated and is bonded to all phen-oxy O atoms from both zwitterionic saltren mol-ecules. There are strong intra-molecular N-H⋯O hydrogen bonds. The cations are linked into chains via weak inter-molecular C-H⋯O hydroge ...[more]

PMID: 21522833

Similar Datasets

Tris(1H-benzimidazol-3-ium-2-ylmeth-yl)amine tris-(2,4,6-trinitro-phenolate) acetonitrile disolvate.

Project description:In the cation of the title salt, C(24)H(24)N(7) (3+)·3C(6)H(2)N(3)O(7) (-)·2C(2)H(3)N, the three benzimidazolium ring systems are oriented to each other at dihedral angles of 10.42?(7), 23.98?(7) and 22.17?(7)°. In the crystal, the cation links to the adjacent picrate anions via N-H?O hydrogen bonds; one of independent acetonitrile solvent mol-ecules is also linked to the cation via an N-H?N hydrogen bond.

| S-EPMC3379477 | biostudies-literature

Tris(1,10-phenanthroline-5,6-dione-?N,N')zinc bis-(perchlorate) acetonitrile monosolvate.

Project description:In the title compound, [Zn(C(12)H(6)N(2)O(2))(3)](ClO(4))(2)·CH(3)CN, the Zn(II) atom is coordinated by six N atoms from three chelating 1,10-phenanthroline-5,6-dione ligands in a distorted octa-hedral environment. In the crystal, inter-molecular C-H?O hydrogen bonds and O?? and N?? inter-actions [O?centroid distances = 2.907?(5) and 2.843?(7)?Å; N?centroid distance = 2.861?(10)?Å] link the complex cations, perchlorate anions and acetonitrile solvent mol-ecules into a three-dimensional network.

| S-EPMC3201451 | biostudies-literature

(Salicylato)[tris-(1-methyl-1H-benz-imidazol-2-ylmeth-yl)amine]copper(II) perchlorate dimethyl-formamide disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(3))(C(27)H(27)N(7))]ClO(4)·2C(3)H(7)NO, the Cu(II) ion is five-coordinated by four N atoms from the tris-(1-methyl-1H-benzimidazol-2-ylmeth-yl)amine ligand and an O atom of the monodentate salicylate ligand. The N(4)O donor set defines a coordination geometry inter-mediate between square-pyramidal and trigonal-bipyramidal. The crystal structure is stabilized by O-H⋯O inter-actions. The atoms of the aromatic ring of the salicylate ligand are disordered over two sites of equal occupancy. In addition, one of the dimethyl-formamide solvent mol-ecules is partially disordered over two positions, of approximately equal occupancy.

| S-EPMC2914911 | biostudies-literature

Tris(acetonitrile-?N){2,6-bis-[(diphenyl-phosphan-yl)amino]-4-eth-oxy-1,3,5-triazine-?P,N,P'}iron(II) bis-(tetra-fluorido-borate) acetonitrile disolvate.

Project description:In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa-hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth-oxy-1,3,5-triazine and by three acetonitrile mol-ecules. The four Fe-N bond lengths range from 1.9142?(12) to 1.9579?(11)?Å, while the Fe-P bonds are 2.2452?(4) and 2.2506?(4)?Å [P-Fe-P = 165.523?(14)°], consistent with Fe(II) in a low-spin state. Unlike related Fe PNP complexes based on 2,6-diamino-pyridine, the BF(4) anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion-? inter-actions with the triazine ring and acetonitrile mol-ecules in addition to ten C-H?F inter-actions. Most remarkable among these is an anion-?(triazine) inter-action with a short distance of 2.788?(2)?Å between one F and the centroid of the ?-acidic triazine ring. The corresponding shortest distance between this F atom and a triazine carbon atom is 2.750?(2)?Å. The two NH groups of the pincer ligand donate N-H?N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile mol-ecule. This last mol-ecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C?N distances of 3.467?(2) and 3.569?(2)?Å. In contrast to several related compounds with diamino-pyridine- instead of diamino-triazine-based PNP ligands, the title crystal structure is remarkably well ordered. This suggests that the diamino-triazine moiety exerts notable crystal structure stabilizing effects.

| S-EPMC3238739 | biostudies-literature

Bis[?-N-(pyridin-2-ylmeth-yl)pyridin-3-amine-?(2) N:N']disilver(I) bis-(perchlorate) dimethyl sulfoxide disolvate.

Project description:In the binuclear title compound, [Ag2(C11H11N3)2](ClO4)2·2C2H6SO, the complex cation is centrosymmetric, with the unique Ag(I) cation coordinated by two pyridine N atoms from two symmetry-related N-(pyridine-2-ylmeth-yl)pyridine-3-amine ligands in a geometry slightly distorted from linear [N-Ag-N = 170.78?(9)°], resulting in the formation of a 16-membered cyclic dimer. The two pyridine rings coordinating to the Ag(I) atom are almost perpendicular to each other [dihedral angle = 87.73?(10)°]. Inter-molecular Ag?O inter-actions [3.149?(3) and 2.686?(3)?Å], N-H?O and C-H?O hydrogen bonds and C-H?? inter-actions between the cyclic dimers and the anions or the solvent mol-ecules lead to the formation of a three-dimensional supra-molecular network.

| S-EPMC3884244 | biostudies-literature

{4'-[4-(4,4'-Bipyridin-1-ylmeth-yl)phen-yl]-2,2':6',2''-terpyridine}chloridoplatinum(II) bis-(perchlorate) acetonitrile disolvate sesquihydrate.

Project description:The asymmetric unit of the title compound, [PtCl(C(32)H(24)N(5))](ClO(4))(2)·2CH(3)CN·1.5H(2)O, comprises two unique Pt(II) complex cations, four perchlorate anions, four acetonitrile solvent mol-ecules and three water mol-ecules. The Pt atom is four-coordinated by a tridentate chelating 2,2':6',2''-terpyridine ligand and a chloride ion in a square-planar geometry with modest distortion imposed by the constraint of the terpyridyl ligand. The r.m.s. deviations from the plane comprising the four ligand donor atoms and the Pt atom are 0.0381 and 0.0472?Å in the two complex cations.

| S-EPMC2979511 | biostudies-literature

(Dicyanamido)[tris-(2-pyridylmeth-yl)amine]zinc(II) perchlorate.

Project description:In the title complex, [Zn(C(2)N(3))(C(18)H(18)N(4))]ClO(4), the Zn(II) ion has a slightly distorted trigonal-bipyramidal ZnN(5) coordination geometry. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds. In addition, there are relatively close contacts between the O atoms of the perchlorate anion and symmetry-related pyridine rings [O?Cg = 3.179?(3) and 3.236?(3)?Å, where Cg is the centroid of a pyridine ring], and between the terminal N atom of the dicyanamide ligand and pyridine rings [N?Cg = 3.381?(4)-3.761?(3)?Å]. The central N atom of the dicyanamide ligand is disordered over two sites in an approximately 0.6:0.4 ratio.

| S-EPMC2960752 | biostudies-literature

Bis(acetonitrile-?N)(1,10-phenanthroline-?N,N')platinum(II) bis-(perchlorate).

Project description:The asymmetric unit of the title compound, [Pt(CH(3)CN)(2)(C(12)H(8)N(2))](ClO(4))(2), contains one half of a cationic Pt(II) complex and pair of half perchlorate anions, one of which is disordered over two sites in a 0.53?(3):0.47?(3) ratio. The complex and anions are disposed about a crystallographic mirror plane parallel to the ac plane passing through the Pt and Cl atoms. In the complex, the Pt(II) ion lies in a distorted square-planar environment defined by four N atoms of the chelating 1,10-phenanthroline ligand and two distinct acetonitrile mol-ecules. The component ions inter-act by means of inter-molecular C-H?O hydrogen bonds.

| S-EPMC2984004 | biostudies-literature

Acetonitrilebis(2,9-dimethylphenanthroline)copper(II) bis(tetrafluoridoborate) acetonitrile disolvate.

Project description:In the title compound, [Cu(CH(3)CN)(C(14)H(12)N(2))(2)](BF(4))(2)·2CH(3)CN, the Cu(II) atom shows a distorted CuN(5) square-pyramidal geometry with the acetonitrile N atom in an equatorial site, which differs substanti-ally from the distorted trigonal-bipyramidal arrangement usually observed for five-coordinate complexes of Cu(II) with two phenanthroline-type ligands and one other ligand. The B atom of one of the BF(4) (-) anions is disordered over two sites in a 0.825?(2):0.175?(2) ratio. In the crystal, C-H?F hydrogen bonds help to establish the packing.

| S-EPMC2977625 | biostudies-literature

Bis(tri-2-pyridyl-amine)-nickel(II) bis-(perchlorate).

Project description:In the title compound, [Ni(C(15)H(12)N(4))(2)](ClO(4))(2), the Ni(II) atom lies on an inversion center and is octa-hedrally coordinated by the N atoms of two tridentate tri-2-pyridyl-amine ligands. The two perchlorate anions are disordered over two sites with a refined occupancy ratio of 0.528?(19):0.472?(19).

| S-EPMC3050307 | 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