Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4,6-Trimethyl-3,5-bis[(phenylcarbono-thioyl)sulfanylmethyl]benzyl benzenecarbodithioate.

ABSTRACT: In the title compound C(33)H(30)S(6), the three pendant methyl-ene benzodithio-ate groups lie to one side of the central benzene ring in a cis-cis-cis 'tripod' arrangement. The dihedral angles between the central benzene ring and the three pendant rings are 72.54?(4), 89.68?(4) and 86.74?(4)°. In the crystal structure, one of the benzene rings is disordered over two orientations in a 0.559?(13):0.441?(13) ratio.

SUBMITTER: Kannan M

PROVIDER: S-EPMC2979543 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4,6-Trimethyl-3,5-bis[(phenylcarbono-thioyl)sulfanylmethyl]benzyl benzenecarbodithioate.

Kannan M M Ramkumar V V Dhamodharan R R

Acta crystallographica. Section E, Structure reports online 20100519 Pt 6

In the title compound C(33)H(30)S(6), the three pendant methyl-ene benzodithio-ate groups lie to one side of the central benzene ring in a cis-cis-cis 'tripod' arrangement. The dihedral angles between the central benzene ring and the three pendant rings are 72.54 (4), 89.68 (4) and 86.74 (4)°. In the crystal structure, one of the benzene rings is disordered over two orientations in a 0.559 (13):0.441 (13) ratio. ...[more]

PMID: 21579463

Similar Datasets

N,N'-Bis[(E)-2,4,6-trimethyl-benzyl-idene]ethane-1,2-diamine.

Project description:The title compound, C(22)H(28)N(2), which is a double imine derived from ethane-1,2-diamine and mesityl aldehyde, has crystallographic inversion symmetry, with both C=N bonds E configured. The dihedral angle between the mesityl ring system and the imide functional group is 23.89?(17)°.

| S-EPMC3213609 | biostudies-literature

Bis(?(2)-?:?-2,4,6-trimethyl-benzonitrile)-bis-[(N-isopropyl-3,5-dimethyl-anilido)molybdenum(III)](Mo-Mo).

Project description:The title compound, [Mo(2)(C(11)H(16)N)(4)(C(10)H(11)N)(2)], is a dinuclear molybdenum complex with a formal metal-metal bond [Mo?Mo separation = 2.5946?(8)?Å], four anilide-type ligands and two bridging mesityl nitrile groups. There are two inversion symmetric mol-ecules in the unit cell (an inversion center is localized at the mid-point of the Mo-Mo bond), each with approximate non-crystallographic C(2h) symmetry. The mol-ecules contain disordered isopropyl and 3,5-C(6)H(3)Me(2) groups on different anilido ligands; the major component having an occupancy of 0.683?(7). The complex was obtained in low yield as the product from the reaction between the bridging pyrazine adduct of molybdenum tris--anilide ([?(2)-(C(4)H(4)N(2)){Mo(C(11)H(16)N)(3)}(2)]) and mesityl nitrile with a loss of one anilido ligand.

| S-EPMC3238583 | biostudies-literature

(E)-N'-(2,4,6-Trimethyl-benzyl-idene)isonicotinohydrazide.

Project description:The title isoniazid derivative, C(16)H(17)N(3)O, exists in an E configuration with respect to the Schiff base C=N bond. The pyridine ring is essentially planar [maximum deviation = 0.009?(3)?Å]. The mean plane through the hydrazide unit forms dihedral angles of 38.38?(16) and 39.42?(16)°, respectively, with the pyridine and benzene rings. In the crystal structure, symmetry-related mol-ecules are linked via inter-molecular N-H?O hydrogen bonds into chains along [100]. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

| S-EPMC2979577 | biostudies-literature

1-[2,4,6-Trimethyl-3,5-bis-(4-oxopiperidin-1-ylmeth-yl)benz-yl]piperidin-4-one.

Project description:In the structure of the title compound, C(27)H(39)N(3)O(3), each of the (4-oxopiperidin-1-yl)methyl residues adopts a flattened chair conformation (with the N and carbonyl groups being oriented to either side of the central C(4) plane) and they occupy positions approximately orthogonal to the central benzene ring [C(benzene)-C-C(methyl-ene)-N torsion angles 103.4?(2), -104.4?(3) and 71.9?(3)°]; further, two of these residues are oriented to one side of the central benzene ring with the third to the other side. In the crystal packing, supra-molecular layers in the ab plane are sustained by C-H?O inter-actions.

| S-EPMC2979355 | biostudies-literature

Bis(2,4,6-trimethyl-pyridinium) tetra-bromidozincate.

Project description:In the title compound, (C(8)H(12)N)(2)[ZnBr(4)], the coordination geometry of the anion is approximately tetra-hedral. The Zn-Br bond lengths range from 2.3901 (19) to 2.449 (2) Å and the Br-Zn-Br angles range from 107.09 (8) to 112.48 (8)°. In the crystal, each [ZnBr(4)](2-) anion is connected to four cations through two N-H⋯Br and two C-H⋯Br hydrogen bonds, forming two-dimensional ⋯(cation)(2)⋯anion⋯(cation(2))⋯ sheets parallel to the bc plane. Within each sheet, the anions are arranged in stacks with no significant inter-anion Br⋯Br inter-actions [the shortest being > 4.3 Å], while the cations are in chains, with weak π-π stacking inter-actions [centroid-centroid distance = 3.991 Å] between cations inter-acting with the same anion.

| S-EPMC3515090 | biostudies-literature

Bis(2,4,6-trimethyl-pyridinium) hexa-chloridoplatinate(IV).

Project description:The asymmetric unit of the title compound, (C(8)H(12)N)(2)[PtCl(6)], contains one independent protonated 2,4,6-trimethyl-pyridinium cation and one half of a centrosymmetric [PtCl(6)](2-) anion. The Pt ion has an almost ideal octa-hedral coordination. In the crystal structure, intra-molecular N-H?Cl and inter-molecular C-H?Cl hydrogen bonds result in the formation of a supra-molecular structure.

| S-EPMC2959317 | biostudies-literature

Bis(2,4,6-trimethyl-phen-yl)zinc(II).

Project description:The title compound, [Zn(C(9)H(11))(2)] or Mes(2)Zn (Mes = mesityl = 2,4,6-trimethyl-phen-yl), crystallizes with a quarter of a mol-ecule in the asymmetric unit. The Zn(II) atom is in a strictly linear environment with a Zn-C bond length of 1.951?(5)?Å. Due to the imposed 2/m symmetry, both aromatic rings are coplanar. One of the methyl groups is disordered over two equally occupied positions.

| S-EPMC2969329 | biostudies-literature

Bis(benzyl-trimethyl-ammonium) dichromate(VI).

Project description:The asymmetric part of the title compound, (C(10)H(16)N)(2)[Cr(2)O(7)], contains one cation and a half of the dichromate dianion, which has a staggered conformation and exhibits disorder of the bridging O atom around the inversion center over two positions in a 1:1 ratio. Weak inter-molecular C-H⋯O hydrogen bonds link cations and anions into a three-dimensional structure.

| S-EPMC3246999 | biostudies-literature

Bis(benzyl-trimethyl-ammonium) tetra-bromidocuprate(II).

Project description:In the title mol-ecular salt, (C(10)H(16)N)(2)[CuBr(4)], the Cu(II) ion adopts a squashed tetra-hedral geometry with Br-Cu-Br angles varying between 99.29 (3) and 132.53 (3)°. In the crystal, the components are linked by C-H⋯Br inter-actions, thereby generating a three-dimensional network.

| S-EPMC3200753 | biostudies-literature

Bis(μ-diethyl-phosphido-κP:P)bis-[bis(2,4,6-trimethyl-phen-yl)indium(III)].

Project description:The title compound, [In(2)(C(9)H(11))(4)(C(4)H(10)P)(2)], contains a centrosymmetric In(2)P(2) core with short inter-molecular In-P bonds. This core has acute P-In-P and obtuse In-P-In bond angles compared with other [R(2)InPR'(2)](2) analogues, due to the presence of the bulky aromatic substituents on the In atom and the non-sterically demanding ethyl substituents on the P atom.

| S-EPMC3246993 | 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