Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Fac-(2-Amido-ethyl-?C,O)aqua-tri-chlorido-tin(IV) 1,4,7,10,13,16-hexa-oxacyclo-octa-decane (2/1).

ABSTRACT: The asymmetric unit of the title compound, [Sn(C(3)H(6)NO)Cl(3)(H(2)O)](2)·C(12)H(24)O(6), comprises a six-coordinate tin complex and a 18-crown-6 mol-ecule, the latter disposed about a centre of inversion. The tin atom is coordinated by three Cl atoms, that define a facial arrangement, a chelating C-,O- ligand, and a water mol-ecule. The resulting CCl(3)O(2) donor set defines a distorted octa-hedral geometry. The tin-bound aqua ligand forms O-H?O hydrogen bonds to the centrosymmetric 18-crown-6 mol-ecule, resulting in a tri-mol-ecular aggregate. These assemble into a supra-molecular chain along the a axis being connected by N-H?O hydrogen bonds.

SUBMITTER: Wardell SM

PROVIDER: S-EPMC2983741 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

fac-(2-Amido-ethyl-κC,O)aqua-tri-chlorido-tin(IV) 1,4,7,10,13,16-hexa-oxacyclo-octa-decane (2/1).

Wardell Solange M S V SM Harrison William T A WT Tiekink Edward R T ER de Lima Geraldo M GM Wardell James L JL

Acta crystallographica. Section E, Structure reports online 20100220 Pt 3

The asymmetric unit of the title compound, [Sn(C(3)H(6)NO)Cl(3)(H(2)O)](2)·C(12)H(24)O(6), comprises a six-coordinate tin complex and a 18-crown-6 mol-ecule, the latter disposed about a centre of inversion. The tin atom is coordinated by three Cl atoms, that define a facial arrangement, a chelating C-,O- ligand, and a water mol-ecule. The resulting CCl(3)O(2) donor set defines a distorted octa-hedral geometry. The tin-bound aqua ligand forms O-H⋯O hydrogen bonds to the centrosymmetric 18-crown-6 ...[more]

PMID: 21580253

Similar Datasets

Tris[(1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)rubidium] heptaantimonide-ammonia (1/4).

Project description:The crystal structure of the title compound, [Rb(C(12)H(24)O(6))](3)[Sb(7)]·4NH(3), fills the gap between the already known Zintl anion ammoniates {[Cs(18-crown-6)](3)Sb(7)}(2)·9NH(3) [Wiesler (2007 ▶). Dissertation, Universität Regensburg, Germany] and [K(18-crown-6)](3)Sb(7)·4NH(3) [Hanauer (2007 ▶). Dissertation, Universität Regensburg, Germany]. As in the two known compounds, the anti-mony cage anion in this crystal structure is coordinated by three alkali cations. The coordination spheres of each of the cations are saturated by 18-crown-6 mol-ecules. The ammonia mol-ecules of crystallization are situated between the crown ethers. The neutral, mol-ecular [Rb(18-crown-6)](3)Sb(7) units are inter-connected by multiple dipole-dipole interactions between ammonia and 18-crown-6.

| S-EPMC3246972 | biostudies-literature

Di-?-chlorido-bis-[aqua-chloridodimethyl-tin(IV)]-1,4,7,10,13-penta-oxacyclo-penta-decane (1/1).

Project description:The Sn, Cl and water O atoms of the title compound, [Sn(2)(CH(3))(4)Cl(4)(H(2)O)(2)]·C(10)H(20)O(5), lie on a special position of 2 site symmetry. The Sn(IV) atom shows cis-C(2)SnCl(2)O trigonal-bipyramidal coordination [C-Sn-C = 157.0?(1)°]; however, two [Me(2)SnCl(2)(H(2)O)] units are linked by a tin-chlorine bridge [Sn?Cl = 3.247?(1)?Å] across a center of inversion, generating a dinuclear species, so that the geometry is better regarded as a mer-C(2)SnCl(3)O octa-hedron. The crown ether inter-acts through O-H?O hydrogen with the metal atom through the coordinated water mol-ecules in an outer-sphere manner, generating a hydrogen-bonded chain running along [101]. The 15-crown-5 mol-ecule is disordered over the 2/m site.

| S-EPMC3343780 | biostudies-other

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

N,N,2,4,6-Penta-methyl-anilinium hexa-fluoro-phosphate-1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane (2/1).

Project description:In the title compound, 2C11H18N(+)·2PF6 (-)·C12H24O6, the 18-crown-6 mol-ecule has crystallographically imposed inversion symmetry. In the crystal, it inter-acts with the cation through weak C-H⋯O hydrogen bonds. The cations and anions are further linked via N-H⋯F and C-H⋯F hydrogen bonds, leading to a sandwich structure .

| S-EPMC3914100 | biostudies-literature

catena-Poly[[bis-(?(2)-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)dipotassium]-?(2)-iodido-(iodidocadmium)-di-?(2)-iodido-(iodidocadmium)-?(2)-iodido].

Project description:The reaction of CdCl(2), 18-crown-6 and KI in water yields the title coordination polymer, [{K(C(12)H(24)O(6))}(2)Cd(2)I(6)](n). The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77?(2) and 0.23?(2). Two K(18-crown-6)(+) units are linked by inversion symmetry, forming a [bis-(?(2)-18-crown-6)dipottasium] system with approximately square-planar K(2)O(2) units. Inversion symmetry also generates the Cd(2)I(6) fragment and the polymeric system is extended along the c axis by the formation of K-I-Cd bridges.

| S-EPMC3569213 | biostudies-literature

Di-?-azido-bis-(?-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)bis-(5,10,15,20-tetra-phenyl-porphyrinato)dicadmium-disodium.

Project description:The asymmetric unit of the title compound, [Cd2Na2(N3)2(C44H28N4)2(C12H24O6)2], consists of one half of the dimeric complex; the tetra-nuclear mol-ecule lies about an inversion centre. The Cd(II) atom is coordinated by the four pyrrole N atoms of the 5,10,15,20-tetra-phenyl-porphyrinate ligand and one N atom of the axial azide ligand in a square-pyramidal geometry. The azide group is also linked to the Na(I) atom, which is surrounded by one 18-crown-6 molecule and additionally bonded to a second 18-crown-6 molecule trans to the azide group. The porphyrin core exhibits a major doming distortion (?40%) and the crystal structure is stabilized by weak C-H?? inter-actions. The mol-ecular structure features weak intra-molecular hydrogen bonds: two O-H?O inter-actions within the 18-crown-6 mol-ecule and one C-H(18-crown-6)?N(azido) contact.

| S-EPMC3588796 | biostudies-other

fac-Aqua-(2-carboxy-ethyl-?C,O)trichlorido-tin(IV)-1,4,7,10,13-penta-oxacyclo-penta-deca-ne-water (1/1/2).

Project description:In the title compound, [Sn(C(3)H(5)O(2))Cl(3)(H(2)O)]·C(10)H(20)O(5)·2H(2)O, the Sn(IV) atom is octa-hedrally coordinated within a fac-CO(2)Cl(3) donor set, arising from the C,O-bidentate carboxy-ethyl ligand, a water mol-ecule and three chloride ligands. In the crystal, supra-molecular chains linked by O-H?O hydrogen bonds propagate along the c axis These chains are connected into layers in the ac plane via C-H?O inter-actions.

| S-EPMC2979106 | biostudies-literature

Diaqua-dichloridomethyl-phenyl-tin(IV)-1,4,7,10,13-penta-oxacyclo-penta-decane (1/1).

Project description:The asymmetric unit of the title cocrystal, [Sn(CH(3))(C(6)H(5))Cl(2)(H(2)O)(2)]·C(10)H(20)O(5), contains two independent for-mula units. The organotin molecules exhibit a six-coordinate metal atom and are linked to the crown ether molecules by water-crown ether O-H⋯O hydrogen bonds into a linear chain running along [101]. Each coordinated water mol-ecule forms a pair of hydrogen bonds to the same crown ether; for the crown ether mol-ecules, only four of the five O atoms are engaged in hydrogen-bonding inter-actions. The metal ions show a distorted trans-C(2)SnCl(2)O(2) octa-hedral coordination geometry [C-Sn-C = 175.3 (1) and 178.9 (1)°].

| S-EPMC3274929 | biostudies-literature

fac-(2-Amido-ethyl-?C,O)trichlorido(urea-?O)tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(3)H(6)NO)Cl(3)(CH(4)N(2)O)], is octa-hedrally coordinated within a CCl(3)NO donor set provided by a chelating amido-ethyl ligand (C and O), a urea-O atom and three facially arranged Cl atoms. Systematic variations in the Sn-Cl bond distances are correlated with the relative trans influence exerted by the C and carbonyl-O atoms. The three-dimensional crystal packing is stabilized by N-H?O and N-H?Cl hydrogen bonds.

| S-EPMC3201406 | biostudies-literature

Octa-kis(3-methyl-anilinium) hexa-chlorido-cadmate tetra-chloride.

Project description:The asymmetric unit of the title compound, (C(7)H(10)N)(8)[CdCl(6)]Cl(4), contains four 3-methyl-anilinium cations, two chloride anions and half an octa-hedral hexa-chloridocadmate(II) anion, which lies on an inversion centre. In the crystal, numerous N-H?Cl and bifurcated N-H?(Cl,Cl) hydrogen bonds link the components.

| S-EPMC3238727 | 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