Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tri-phenyl-telluronium(IV) bromide acetone hemisolvate.

ABSTRACT: The asymmetric unit of the title compound, 2C18H15Te(+)·2Br(-)·C3H6O or Ph3TeBr·0.5Me2CO, contains two crystallographically independent tri-phenyl-telluronium cations, two bromide anions, and one disordered [site-occupancy ratio = 0.581?(7):0.419?(7)] solvent mol-ecule. Inter-ionic Te?Br inter-actions connect the cations and anions into a tetra-meric step-like structure. The primary coordination spheres of both Te atoms are TeC3 trigonal pyramids: three short secondary tellurium-bromine inter-actions expand the coordination geometry of one of the Te atoms to an octa-hedron. While the other Te atom shows only two Te?Br secondary bonding inter-actions, it is also six-coordinated due to a Te?? inter-action [3.769?(2)?Å] with one of the phenyl rings of the adjacent cation.

SUBMITTER: Narhi SM

PROVIDER: S-EPMC3884325 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tri-phenyl-telluronium(IV) bromide acetone hemisolvate.

Närhi Sari M SM Oilunkaniemi Raija R Laitinen Risto S RS

Acta crystallographica. Section E, Structure reports online 20131019 Pt 11

The asymmetric unit of the title compound, 2C18H15Te(+)·2Br(-)·C3H6O or Ph3TeBr·0.5Me2CO, contains two crystallographically independent tri-phenyl-telluronium cations, two bromide anions, and one disordered [site-occupancy ratio = 0.581 (7):0.419 (7)] solvent mol-ecule. Inter-ionic Te⋯Br inter-actions connect the cations and anions into a tetra-meric step-like structure. The primary coordination spheres of both Te atoms are TeC3 trigonal pyramids: three short secondary tellurium-bromine inter-ac ...[more]

PMID: 24454101

Similar Datasets

Bupropion hydro-bromide propanol hemisolvate.

Project description:The title compound {systematic name: N-[1-(3-chloro-phen-yl)-1-oxopropan-2-yl]-tert-butanaminium bromide propanol hemisolvate}, C(13)H(19)ClNO(+)·Br(-)·0.5C(3)H(8)O, crystallizes with two independent bupropion hydro-bromide ion pairs and a solvent 1-propanol mol-ecule in the asymmetric unit. In both mol-ecules, the expected proton transfer from HBr to the amino group of the bupropion mol-ecule is observed, and intra- and inter-molecular N-H?Br hydrogen-bond inter-actions are formed. These inter-actions link the mol-ecules into hydrogen-bond dimers. The side chains of the two cations have slightly different orientations. The 1-propanol solvent mol-ecule is linked to a bromide ion by an O-H?Br hydrogen bond.

| S-EPMC3201450 | biostudies-literature

Dichloridobis(1,3-phenyl-propane-1,3-dionato-κO,O')tin(IV) toluene hemisolvate.

Project description:The two Sn-O-C-C-C-O chelate rings in the title compound, [Sn(C(15)H(11)O(2))(2)Cl(2)]·0.5C(7)H(8), adopt envelope conformations, with the Sn atom deviating from the least-squares plane passing through the C and O atoms by 0.626 (1) Å in one ring and by 0.690 (1) Å for the other. The two planes are aligned at an angle of 59.6 (1)°. The Cl atoms occupy cis positions in the octa-hedral SnCl(2)O(4) coordination environment. The solvent mol-ecule is disordered about a center of inversion.

| S-EPMC3007579 | biostudies-literature

1-Butyl-3-methyl-imidazolium tri-bromido-(tri-phenyl-phosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate.

Project description:The solvated title salt, (C8H15N2)[NiBr3(P(C6H5)3)]·0.5C4H10O, was obtained in the form of single crystals directly from the reaction mixture. The mol-ecular structure consists of separated 1-butyl-3-methyl-imidazolium cations, tri-bromido-(tri-phenyl-phosphane)nickelate(II) anions and half a solvent mol-ecule of 1-butanol, all connected via multiple hydrogen contacts to form a three-dimensional network. The co-crystallized 1-butanol mol-ecule is disordered and adopts two orientations. The central C-C bonds of both orientations are located on an inversion centre (Wyckoff site 2b of space group P21/n). Thereby, each orientation has again two orientations with the OH group being located either on one or the other side of the C4 alkyl chain. The dried solvent-free compound exhibits a relatively low melting point (m.p. = 412 K).

| S-EPMC9462364 | biostudies-literature

?-(Acetic acid)-di-?-chlorido-bis[tri-phenyl-tellurium(IV)] monohydrate.

Project description:The asymmetric unit of the title compound, C38H34Cl2O2Te2·H2O, contains two independent Te(IV) cations, each coordinated by three phenyl ligands, two Cl(-) anions and one acetic acid mol-ecule in a distorted octa-hedral C3Cl2O geometry; the longer Te?Cl distances ranging from 3.2007?(11) to 3.4407?(11)?Å and the longer Te?O distances of 3.067?(3) and 3.113?(3)?Å indicate the weak bridge coordination. The Cl(-) anion and acetic acid mol-ecule bridge the two independent Te(IV) cations, forming the dimeric complex mol-ecule, in which the Te?Te separation is 3.7314?(4)?Å. In the crystal, the water molecules of crystallization link the Te(IV) complex mol-ecules into chains running along the b-axis direction via O-H?O and O-H?Cl hydrogen bonds.

| S-EPMC3770430 | biostudies-literature

(O-Methyl di-thio-carbonato-κS)tri-phenyl-tin(IV).

Project description:In the title compound, [Sn(C6H5)3(C2H3OS2)], the Sn(IV) atom adopts a distorted SnC3S tetra-hedral coordination geometry. A short Sn⋯O contact [2.988 (4) Å] is also present. The phenyl rings are each disordered over two sets of sites with an occupancy ratio of 0.550 (8):0.450 (8). The crystal studied was found to be a racemic twin with a twin component ratio of 0.57 (18):0.43 (18).

| S-EPMC3684880 | biostudies-literature

Monoclinic polymorph of chlorido-(dimethyl sulfoxide-κO)tri-phenyl-tin(IV).

Project description:The crystal structure of the title tin complex, [Sn(C6H5)3Cl(C2H6OS)], (I), has been reported with one mol-ecule in the asymmetric unit in an ortho-rhom-bic cell [Kumar et al. (2009 ▸). Acta Cryst. E65, m1602-m1603]. While using SnPh3Cl as a starting material for a reaction for which the products were recrystallized over a very long time (six months) from dimethyl sulfoxide (DMSO), a new polymorph was obtained for (I), with two independent mol-ecules in the asymmetric unit of a monoclinic cell. The coordination geometry of the Sn centres remains unchanged, with the Cl- ion and the DMSO mol-ecule in the apical positions and the phenyl C atoms in the equatorial positions of a trigonal bipyramid. The main difference between the polymorphs is the relative orientation of the phenyl rings in the equatorial plane, reflecting a degree of free rotation of these groups about their Sn-C bonds. In the crystal, mol-ecules are linked into [010] chains mediated by weak C-H⋯O inter-actions.

| S-EPMC5956328 | biostudies-literature

trans-Chlorido-(4-fluoro-benzene-thiol-ato-κS)bis-(tri-phenyl-phosphane-κP)palladium(II) methanol hemisolvate.

Project description:The title compound, [Pd(SC6H4F-p)Cl(PPh3)2]·0.5CH3OH, features a Pd(II) complex with two tri-phenyl-phosphane (PPh3) ligands arranged in a trans conformation, with one chloride and one 4-fluoro-benzene-thiol-ate ligand completing the coordination sphere, giving rise to a slightly distorted square-planar geometry of the Pd(II) ion. The methanol solvent mol-ecule is disordered about an inversion centre with an occupancy of 0.25 for each molecule. In the crystal, weak C-H⋯Cl hydrogen-bonding inter-actions between the complex mol-ecules generate chain frameworks parallel to [010].

| S-EPMC3998499 | biostudies-literature

catena-Poly[[tri-phenyl-tin(IV)]-?-N-(4-acetyl-phen-yl)maleamato].

Project description:The crystal structure of the polymeric title compound, [Sn(C6H5)3(C12H10NO4)] n , comprises polymeric chains whereby adjacent Sn atoms are bridged by carboxyl-ate and amide carbonyl O atoms [Sn-O = 2.115?(15) and 2.653?(1)?Å, respectively]. The Sn(IV) atom is five-coordinated showing a distorted trigonal-bipyramid geometry, with the three phenyl ipso-C atoms defining the trigonal plane and the axial positions occupied by O atoms [O-Sn-O = 171.91?(5)°]. Intra-molecular N-H?O hydrogen bonding leads to a seven-membered loop. There is an intra-molecular C-H?O inter-action within the polymeric chain. An inter-molecular C-H?O inter-action along c links the polymeric chains into sheets which are linked into a three-dimensional network via C-H?? inter-actions.

| S-EPMC3793673 | biostudies-literature

1,3-Di-1-adamantylimidazolium (phthalocyaninato)lithium(I) acetone hemisolvate monohydrate.

Project description:The asymmetric unit of the title compound, (C(23)H(33)N(2))[Li(C(32)H(16)N(8))]·0.5C(3)H(6)O·H(2)O, consists of two symmetry-unrelated lithium phthalocyanine (LiPc(-)) half-anions, centered at (1,0,0) and (0,,0), respectively, the bis-(adamant-yl)imidazolium cation (BAI(+)), occupying a general site, an acetone mol-ecule, disordered about the inversion centre at (0, , ) and a water mol-ecule at a general site. The LiPc(-) anions pack in a stepped pattern enclosing the bis-(adamant-yl)imidazolium cation. Attractions between the anion and cation are mediated by a water mol-ecule which forms O-H⋯N hydrogen bonds. In addition, two C-H⋯O interactions are seen.

| S-EPMC2967910 | biostudies-literature

d-Phenyl-glycinium bromide.

Project description:In the crystal of the title salt, C8H10NO2 (+)·Br(-), the bromide anions and the phenylglycinium cations are -linked through N-H⋯Br, O-H⋯Br and C-H⋯O hydrogen bonds, generating sheets lying parallel to (001).

| S-EPMC3629510 | 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