Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-1,2-Dichloro-1,2-bis-(3-chloro-quinoxalin-2-yl)ethene.

ABSTRACT: The title compound, C(18)H(8)Cl(4)N(4), exists in a cis configuration with respect to the bridging C=C bond. The two essentially planar quinoxaline ring systems [maximum deviations = 0.012?(1) and 0.022?(1)?Å] are inclined at an angle of 59.84?(3). In the crystal, adjacent mol-ecules are linked into chains propagating along [001] via inter-molecular C-H?N hydrogen bonds. Weak inter-molecular ?-? [centroid-centroid distance = 3.6029?(7)°] and C-H?? inter-actions are also observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3051480 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Z)-1,2-Dichloro-1,2-bis-(3-chloro-quinoxalin-2-yl)ethene.

Fun Hoong-Kun HK Goh Jia Hao JH Maity Annada C AC Goswami Shyamaprosad S

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

The title compound, C(18)H(8)Cl(4)N(4), exists in a cis configuration with respect to the bridging C=C bond. The two essentially planar quinoxaline ring systems [maximum deviations = 0.012 (1) and 0.022 (1) Å] are inclined at an angle of 59.84 (3). In the crystal, adjacent mol-ecules are linked into chains propagating along [001] via inter-molecular C-H⋯N hydrogen bonds. Weak inter-molecular π-π [centroid-centroid distance = 3.6029 (7)°] and C-H⋯π inter-actions are also observed. ...[more]

PMID: 21522982

Similar Datasets

trans-1,2-Bis(3,5-dimethoxy-phen-yl)ethene.

Project description:The title compound, C(18)H(20)O(4), was prepared in high yield from 3,5-dimethoxy-styrene via a Ru-catalysed homo-olefin metathesis. Exclusive formation of the E-configurated isomer was observed. Inter-estingly, one symmetric unit contains two mol-ecules adopting an s-syn-anti and and an all-s-anti conformation.

| S-EPMC2969882 | biostudies-literature

Poly[[bis-[?2-1,2-bis-(pyridin-4-yl)ethene-?(2) N:N']bis-(thio-cyanato-?N)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate dihydrate].

Project description:The asymmetric unit of the title compound, {[Co(NCS)2(C12H10N2)2]·C12H10N2·2H2O} n , consists of two independent Co(II) cations, four distinct thio-cyanate anions, six 1,2-bis-(pyridin-4-yl)ethene (4-bpe) mol-ecules and four lattice water mol-ecules. The Co(II) cations are each coordinated by two N-bonded thio-cyanate anions and four 4-bpe ligands within a slightly distorted CoN6 octa-hedron. The two independent Co(II) cations are linked by the 4-bpe ligands into two distinct layers, parallel to the ac and bc planes, that inter-penetrate. From this arrangement, channels are formed in which non-coordinated 4-bpe and lattice water mol-ecules are hydrogen-bonded into chains that elongate in the c-axis direction.

| S-EPMC3884497 | biostudies-literature

trans-(Ethene-1,2-di-yl)bis-(diphenyl-phosphine selenide).

Project description:In the title mol-ecule, C(26)H(22)P(2)Se(2), both P atoms have distorted tetra-hedral environments, resulting in effective cone angles of 177 and 174°. Inversion twinning was detected and refined to a ratio of 0.35:0.65. Weak inter-molecular C-H?Se inter-actions are observed.

| S-EPMC3254404 | biostudies-literature

(E)-1,2-Bis(1-allyl-benzimidazol-2-yl)ethene.

Project description:In the title compound, C(22)H(20)N(4), the two benzimidazole ring systems are nearly coplanar [dihedral angle = 4.70 (5)°]. Two terminal C atoms of one allyl group are disordered over two sites of equal occupancy. The crystal structure is stabilized by π-π stacking inter-actions, the centroid-centroid distance between nearly parallel [dihedral angle = 19.82 (4)°] benzene and imidazole rings being 3.7885 (15) Å.

| S-EPMC2983981 | biostudies-literature

(E)-1,2-Bis{4-[dimeth-yl(vin-yl)silyl]-phenyl}-ethene.

Project description:The mol-ecule of the title compound, C(32)H(34)Si(2), is situated about a centre of symmetry. The whole diphenyl-ethene fragment is planar and the C(ar)-Si-C(3) group is rotated by ca 30° with respect to the plane of the benzene ring. The crystal structure is stabilized by some C-H?? contacts as well as van der Waals inter-actions.

| S-EPMC2915048 | biostudies-literature

(E)-1,2-Bis(3-bromo-4-methyl-phen-yl)ethene.

Project description:In the structure of the title compound, C(16)H(14)Br(2), the central C=C bond length is 1.329 (4) Å and the two benzene rings are approximately coplanar with the double bond, with twist angles of 7.5 (2) and 13.6 (2)°.

| S-EPMC2960391 | biostudies-literature

A triclinic polymorph of poly[[bis-[μ-1,2-bis-(pyridin-4-yl)ethene-κ(2)N:N']bis-(thio-cyanato-κN)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate].

Project description:In the crystal structure of the title compound, [Co(NCS)(2)(C(12)H(10)N(2))(2)]·C(12)H(10)N(2), the Co(II) cations are octa-hedrally coordinated by two terminally N-bonded thio-cyanate anions and four 1,2-bis-(pyridin-4-yl)ethene (bpe) ligands. The asymmetric unit consists of three crystallographically independent Co(II) cations, six thio-cyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordin-ating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The Co(II) cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261 (2) for the minor domain.

| S-EPMC3379076 | biostudies-literature

Dichloro-phosphinic bis-(2-chloro-eth-yl)amide.

Project description:In the title compound, C4H8Cl4NOP, the two chloro-ethyl groups are not related by crystallographic symmetry. The difference in the conformation of the two groups is shown by their N-C-C-Cl torsion angles of 64.57?(15) and 175.62?(10)°.

| S-EPMC3588365 | biostudies-literature

1,4-Dichloro-2,3-bis-(chloro-meth-yl)butane.

Project description:The title compound, C6H10Cl4, adopts a geometric arrangement with two C-Cl bonds anti-periplanar to C-H bonds and the other two anti-periplanar to C-C bonds. While minimising steric replusion, this arrangement still gives rise to some intramolecular C-H⋯Cl contacts. In the crystal, mol-ecules are connected into a three-dimensional architecture via further C-H⋯Cl contacts.

| S-EPMC3589066 | biostudies-literature

Poly[[bis-[?-1,2-bis-(4-pyrid-yl)ethene]bis-(trichloro-acetato)-cadmium(II)] monohydrate].

Project description:In the crystal structure of the title compound, {[Cd(C(2)Cl(3)O(2))(2)(C(12)H(10)N(2))(2)]·H(2)O}(n), the Cd(II) ion lies on a twofold rotation axis and 1,2-bis-(4-pyrid-yl)ethene ligands bridge symmetry-related Cd(II) ions, forming a two-dimensional structure. Two trichloro-acetate ligands complete the coordination around the Cd(II )ion, forming a distorted octa-hedral environment. In the crystal, solvent water mol-ecules, which also lie on twofold rotation axes, form inter-molecular O-H?O hydrogen bonds, which connect the two-dimensional structure into a three-dimensional network. The crystal studied was an inversion twin, the refined ratio of twin components being 0.75?(4):0.25?(4).

| S-EPMC3050134 | 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