Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[(Z)-2-Butyl-tellan-yl-1-chloro-ethen-yl]-cyclo-hex-1-ene.

ABSTRACT: The Te(II) atom in the title mol-ecule, C(12)H(19)ClTe, is coordinated in a V-shaped geometry by C atoms derived from the disparate organic substituents. A short intramolecular C-H?Cl contact occurs owing to the proximity of the ethene bond in the six-membered ring to the Cl atom. In the crystal, mol-ecules assemble into layers parallel to the ac plane, with the closest inter-actions between them being of the Te?Te type [3.9993?(16)?Å].

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC3297909 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-[(Z)-2-Butyl-tellan-yl-1-chloro-ethen-yl]-cyclo-hex-1-ene.

Zukerman-Schpector Julio J Caracelli Ignez I Guadagnin Rafael Carlos RC Stefani Hélio A HA Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

The Te(II) atom in the title mol-ecule, C(12)H(19)ClTe, is coordinated in a V-shaped geometry by C atoms derived from the disparate organic substituents. A short intramolecular C-H⋯Cl contact occurs owing to the proximity of the ethene bond in the six-membered ring to the Cl atom. In the crystal, mol-ecules assemble into layers parallel to the ac plane, with the closest inter-actions between them being of the Te⋯Te type [3.9993 (16) Å]. ...[more]

PMID: 22412712

Similar Datasets

1-[(Z)-1-Bromo-2-(butyl-dichloro-?-tellan-yl)ethen-yl]cyclo-hex-1-ene.

Project description:The Te(IV) atom in the title compound, [Te(C(4)H(9))(C(8)H(10)Br)Cl(2)] or C(12)H(19)BrCl(2)Te, is in a distorted ?-trigonal-bipyramidal geometry, with the lone pair of electrons projected to occupy a position in the equatorial plane, and with the Cl atoms being mutually trans [172.48?(4)°]. Close intra-molecular [Te?Br = 3.3444?(18)?Å] and inter-molecular [Te?Cl = 3.675?(3)?Å] inter-actions are observed. The latter lead to centrosymmetric dimers which assemble into layers in the bc plane. The primary connections between layers are of the type C-H?Cl.

| S-EPMC3151772 | biostudies-literature

3-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-5,5-di-methyl-cyclo-hex-2-en-1-one.

Project description:In the title compound, C16H17ClO, the cyclo-hexene ring adopts a half-chair conformation and the best plane through the six ring atoms makes a dihedral angle of 6.69?(7)° with the chlorophenyl ring. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules into centrosymmetric R 2 (2)(20) dimers. The dimers are linked into an infinite chains along the b-axis direction by further C-H?O hydrogen bonds.

| S-EPMC3770391 | biostudies-literature

Di-tert-butyl cyclo-hex-2-ene-1,4-diyl dicarbonate.

Project description:In the title mol-ecule, C(16)H(26)O(6), the central cyclo-hexene ring is in a half-chair conformation. The carbonyl groups are in a trans arrangement with respect to each other and the dihedral angle between the mean planes of the carbonate groups is 10.8?(2)°.

| S-EPMC2971395 | biostudies-literature

2-[3-((Z)-2-{4-[Bis(2-chloro-eth-yl)amino]-phen-yl}ethen-yl)-5,5-dimethyl-cyclo-hex-2-en-1-yl-idene]propane-dinitrile.

Project description:The highly conjugated title compound, C(23)H(25)Cl(2)N(3), is nearly planar (the mean deviation from the plane being 0.049?Å), except for the -C(CH(3))(2) group on the cyclo-hexene ring and the two CH(2)Cl groups. The cyclo-hexene ring has an envelope configuration. In the crystal, the packing is stabilized by C-H?Cl inter-actions and C-H?? inter-actions involving the benzene ring.

| S-EPMC3050295 | biostudies-literature

rac-2-tert-Butyl-2,4,5,6,6-penta-chloro-cyclo-hex-3-en-1-one.

Project description:The title compound, C(10)H(11)Cl(5)O, is a chiral mol-ecule with two stereogenic centres. However, it crystallizes as a racemate. One of enanti-omers reveals the relative configuration (2S*,5R*). The cyclo-hexene ring adopts a half-chair conformation.

| S-EPMC3100040 | biostudies-literature

2-[4-(2-{5-tert-Butyl-2-chloro-3-[2-(3-pentyl-1,3-benzothia-zol-2-yl-idene)ethyl-idene]cyclo-hex-1-en-yl}ethen-yl)-3-cyano-5,5-dimethyl-furan-2-yl-idene]malono-nitrile.

Project description:In the title mol-ecule, C36H39ClN4OS, the non-aromatic part of the cyclo-hex-1-enyl ring and the attached tert-butyl group are disordered over two conformations with occupancy ratios of 0.52?(3):0.48?(3) and 0.53?(3):0.47?(3), respectively. The polyene chain single- and double-bond dimensions contrast with a closely related compound [Bouit et al. (2007 ?). Chem. Mater.19, 5325-5335] with an approximate 19° twist between donor and acceptor ends of the mol-ecule, related to the additional intra-molecular C-H?S inter-action. In the title compound, the mol-ecules pack into dimeric units about centres of symmetry utilizing weak C-H?N(cyano) and C-H?O attractive inter-actions, building both chain and ring motifs about the centres [R2(2)(8) and R2(2)(9)]. Adjacent dimeric sets then form a herringbone configuration.

| S-EPMC3588378 | biostudies-literature

2-{5,5-Dimethyl-3-[2-(pyridin-2-yl)ethen-yl]cyclo-hex-2-enyl-idene}propane-dinitrile.

Project description:The mol-ecule of the title compound, C(18)H(17)N(3), with the exception of the -C(CH(3))(2) group, is nearly planar [maximum deviation: 0.208?(4), r.m.s. deviation 0.099?(6)?Å] and the disubstituted C atom is displaced by 0.679?(2)?Å from the mean plane through the remaining non-H atoms. In the crystal, the packing is stabilized by weak C-H?? inter-actions.

| S-EPMC3051543 | biostudies-literature

Diisopropyl 3-[(E)-2-(3,4-dimethoxy-phen-yl)ethen-yl]-5-oxocyclo-hex-3-ene-1,1-dicarboxyl-ate.

Project description:The title compound, C(24)H(30)O(7), displays a trans configuration with respect to the C=C bond. The cyclo-hexenone ring has an envelope conformation; the flap atom (with the isopropoxycarbonyl groups) is displaced by 0.664?(3)?Å from the plane of the other five ring atoms and the carbonyl O atom. The dihedral angle between the cyclo-hexenone ring and the benzene ring is 7.85?(9)°. The meta and para meth-oxy O atoms are displaced by 0.003?(7) and 0.031?(4)?Å, respectively, from the benzene ring to which they are attached.

| S-EPMC2969688 | biostudies-literature

tert-Butyl 4-(4-chloro-anilino)-6-methyl-2-oxocyclo-hex-3-ene-carboxyl-ate.

Project description:In the title compound, C(18)H(22)ClNO(3), the dihedral angle between the benzene ring and the conjugated part of the enaminone ring is 55.19?(9)°. The ester substituent makes a dihedral angle of 81.0?(2)° with this latter moiety. The crystal structure features N-H?O and weak C-H?O inter-molecular inter-actions.

| S-EPMC3050184 | biostudies-literature

trans-Cyclo-hex-2-ene-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

Project description:Although the title mol-ecule, C(20)H(16)N(2)O(10), does not possess mol-ecular inversion symmetry, it lies on a crystallographic inversion centre which imposes disorder on the central cyclo-hexene ring. In addition, the cyclo-hexene ring has non-symmetry-related disorder over two sites, with the ratio of the major and minor components being 0.54:0.46. The overall effect is to produce four disorder components for the atoms of the cyclo-hexene ring. The side chain is perfectly ordered and the dihedral angle between the atoms of the carbonate group (O=CO(2)-) and the benzene ring is 72.99?(6)°.

| S-EPMC2915334 | 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