Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{N,N'-Bis-[2-(di-phenyl-phosphan-yl)ethan-1-yl-idene]ethyl-enedi-amine}bromido-(p-toluene-sulfonyl-methyl isocyanide)iron(II) tetra-phenyl-borate.

ABSTRACT: In the title compound, [FeBr(C9H9NO2S)(C30H30N2P2)][B(C6H5)4], the Fe(II) ion is in a distorted octa-hedral CBrN2P2 coordination geometry with a P-Fe-P angle of 109.95?(3)°. The relative orientation of the p-toluene-sulfonyl-methyl isocyanide ligand is defined by the C-S-C-N torsion angle of 67.1?(2)°. In the crystal, pairs of weak C-H?O hydrogen bonds connect the cations into inversion dimers, forming R 2 (2)(8) rings.

SUBMITTER: Sues PE

PROVIDER: S-EPMC3998587 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

{N,N'-Bis-[2-(di-phenyl-phosphan-yl)ethan-1-yl-idene]ethyl-enedi-amine}bromido-(p-toluene-sulfonyl-methyl isocyanide)iron(II) tetra-phenyl-borate.

Sues Peter E PE Lough Alan J AJ Morris Robert H RH

Acta crystallographica. Section E, Structure reports online 20140326 Pt 4

In the title compound, [FeBr(C9H9NO2S)(C30H30N2P2)][B(C6H5)4], the Fe(II) ion is in a distorted octa-hedral CBrN2P2 coordination geometry with a P-Fe-P angle of 109.95 (3)°. The relative orientation of the p-toluene-sulfonyl-methyl isocyanide ligand is defined by the C-S-C-N torsion angle of 67.1 (2)°. In the crystal, pairs of weak C-H⋯O hydrogen bonds connect the cations into inversion dimers, forming R 2 (2)(8) rings. ...[more]

PMID: 24826104

Similar Datasets

Crystal structure of p-toluene-sulfonyl-methyl isocyanide.

Project description:The mol-ecule of the commercially available title compound, C9H9NO2S, has crystallographically imposed mirror symmetry, the mirror plane passing through the isocyanide group and the para-C atoms, the methyl C atom and the S atom of the methyl 4-tolyl sulfone moiety. In the crystal, C-H?O hydrogen-bond inter-actions link the mol-ecules into chains running parallel to the b axis.

| S-EPMC4459310 | biostudies-literature

[?-Bis(diphenyl-phosphan-yl)methane]-tricarbon-yl(?-p-toluene-sulfonyl-meth-yl isocyanato)(triphenyl-phosphane)ironplatinum(Fe-Pt).

Project description:The title compound, [FePt(C(9)H(9)NO(2)S)(C(18)H(15)P)(C(25)H(22)P(2))(CO)(3)], represents a rare example of an isonitrile-bridged heterobimetallic complex (here Pt and Fe) and is an inter-esting precursor for the preparation of heterodinuclear ?-amino-carbyne complexes, since the basic imine-type N atom of the ?(2)-C=N-R ligand readily undergoes addition with various electrophiles to afford iminium-like salts. In the crystal, the almost symmetrically bridging ?(2)-C=N-R ligand (neglecting the different atomic radii of Fe and Pt) is strongly bent towards the Fe(CO)(3) fragment, with a C=N-R angle of only 121.1?(4)°.

| S-EPMC3297276 | biostudies-literature

2-Methyl-5,6-methyl-enedi-oxy-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(12)O(5)S, was prepared by oxidation of 2-methyl-5,6-methyl-ene-di-oxy-3-phenyl-sulfanyl-1-benzo-furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 83.64?(4)° with the mean plane of the 5,6-(methyl-ene-di-oxy)-benzo-furan fragment. The crystal structure is stabilized by C-H?? inter-actions between a benzene H atom of the 5,6-(methyl-ene-di-oxy)-benzo-furan unit and the phenyl ring of the phenyl-sulfonyl substituent. Additionally, the crystal structure exhibits inter- and intra-molecular C-H?O inter-actions.

| S-EPMC2961259 | biostudies-literature

[1,4-Bis(di-phenyl-phosphan-yl)butane-?(2) P,P']di-bromido-palladium(II).

Project description:In the title complex, [PdBr2(C28H28P2)], the Pd(II) ion has a distorted cis-Br2P2 square-planar coordination geometry defined by two P atoms from the chelating 1,4-bis-(di-phenyl-phosphan-yl)butane ligand and two Br(-) anions. The four phenyl rings are inclined to the least-squares plane of the PdBr2P2 unit [maximum deviation = 0.1294?(7)?Å], making dihedral angles of 66.3?(2), 87.2?(2), 68.8?(2) and 86.8?(2)°. The butyl-ene chain is in a gauche conformation, with a C-C-C-C torsion angle of 57.0?(8)°. Inter-molecular C-H?Br hydrogen bonds link the complex mol-ecules into supra-molecular layers in the ab plane. Weak ?-? inter-actions, both intra- and inter-molecular [shortest inter-centroid distance = 4.598?(5)?Å], are also noted in the three-dimensional architecture.

| S-EPMC3998252 | biostudies-other

Bis(2,6-dimethyl-phenyl isocyanide-?C)gold(I) tetra-fluorido-borate.

Project description:In the title compound, [Au(C(9)H(9)N)(2)]BF(4), the Au(I) cation adopts an almost linear AuC(2) geometry. The cation is bowed due to crystal packing effects, and the dihedral angle between the xylyl rings is 52.3?(7)°.

| S-EPMC2959487 | biostudies-other

Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenyl-sulfonyl-1H-indole, 4-phenyl-sulfonyl-3H,4H-cyclo-penta-[b]indol-1(2H)-one and 1-{2-[(E)-2-(5-chloro-2-nitro-phen-yl)ethen-yl]-1-phenyl-sulfonyl-1H-indol-3-yl}ethan-1-one chloro-form monosolvate.

Project description:The title compounds, C17H13NO2S, (I), C17H13NO3S, (II), and C24H17ClN2O5S·CHCl3, (III), are indole derivatives. Compounds (I) and (II) crystalize with two independent mol-ecules in the asymmetric unit. The indole ring systems in all three structures deviate only slightly from planarity, with dihedral angles between the planes of the pyrrole and benzene rings spanning the tight range 0.20?(9)-1.65?(9)°. These indole ring systems, in turn, are almost orthogonal to the phenyl-sulfonyl rings [range of dihedral angles between mean planes = 77.21?(8)-89.26?(8)°]. In the three compounds, the mol-ecular structure is stabilized by intra-molecular C-H?O hydrogen bonds, generating S(6) ring motifs with the sulfone O atom. In compounds (I) and (II), the two independent mol-ecules are linked by C-H?O hydrogen bonds and C-H?? inter-actions, while in compound (III), the mol-ecules are linked by C-H?O hydrogen bonds, generating R 2 (2)(22) inversion dimers.

| S-EPMC4555396 | biostudies-literature

(?-Penta-methyl-cyclo-penta-dien-yl)(?-p-toluene-sulfonamide)ruthenium(II) tetra-phenyl-borate.

Project description:The crystal structure of the title compound, [Ru(C(10)H(15))(C(7)H(9)NO(2)S)]C(24)H(20)B, has been determined as part of our investigation into the structural and biological properties of organometallic Ru(II)-arene-Cp* complex salts of the type [R-PhRuCp*](+)·X(-) (where Cp* is penta-methyl-cyclo-penta-diene). Tethering the RuCp* group to the benzene ring of p-toluene-sulfonamide results in only minor changes to the mol-ecular geometry of the sulfonamide, but, together with crystallization as the [BPh(4)](-) salt, effectively blocks involvement of the sulfonamide group in N-H?O hydrogen-bonding networks.

| S-EPMC2960125 | biostudies-other

1-(3-Meth-oxy-phen-yl)-2-(phenyl-sulfon-yl)ethan-1-one.

Project description:In the title compound, C(15)H(14)O(4)S, the dihedral angle between the benzene and phenyl rings is 88.74?(10)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.6092?(13)-3.8651?(13)?Å].

| S-EPMC3415004 | biostudies-literature

2-Diazo-1-phenyl-2-((trifluoromethyl)sulfonyl)ethan-1-one: Another Utility for Electrophilic Trifluoromethylthiolation Reactions.

Project description:2-Diazo-1-phenyl-2-((trifluoromethyl)sulfonyl)ethan-1-one (diazo-triflone) (2) is not only a building block but also a reagent. In this study, diazo-triflone, which was originally used for the synthesis of ?-lactam triflones as a trifluoromethanesulfonyl (SO2CF3) building block under catalyst-free thermal conditions, is redisclosed as an effective electrophilic trifluoromethylthiolation reagent under copper catalysis. A broad set of enamines, indoles, ?-keto esters, pyrroles, and anilines were nicely transformed into corresponding trifluoromethylthio (SCF3) compounds in good to high yields by diazo-triflone under copper catalysis via an electrophilic-type reaction. A coupling-type trifluoromethylthiolation reaction of aryl iodides was also realized by diazo-triflone in acceptable yields.

| S-EPMC5126259 | biostudies-literature

Phen-yl(1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:The asymmetric unit of the title compound, C(21)H(15)NO(3)S, contains two crystallographically independent mol-ecules. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-Csp(2) bond lengths are slightly longer than the anti-cipated value of approximately 1.35 Å for N atoms with planar configurations. Both unique S atoms have a distorted tetra-hedral configuration. In each mol-ecule, the indole ring system is essentially planar (r.m.s. deviations for all non-H atoms of 0.020 and 0.023 Å). In one mol-ecule, the indole ring system makes dihedral angles of 65.7 (8) and 73.4 (8)°, respectively, with the benzene and phenyl rings [62.2 (7) and 72.1 (7)°, respectively, in the other mol-ecule].

| S-EPMC3099964 | 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