Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3-Bis(thio-phen-3-yl)quinoxaline.

ABSTRACT: In the title compound, C16H10N2S2, the thienyl rings are inclined to one another by 62.71?(10)°, and are inclined by 63.94?(8) and 21.35?(8)° to the quinoline mean plane [maximum deviation = 0.031?(2)?Å]. In the crystal, the mol-ecules pack in a herringbone pattern, with ?-? stacking inter-actions [centroid-centroid distances = 3.7381?(15) and 3.7268?(15)?Å].

SUBMITTER: Crundwell G

PROVIDER: S-EPMC3588447 | biostudies-other | 2013 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,3-Bis(thio-phen-3-yl)quinoxaline.

Crundwell Guy G de Freitas Jorge J

Acta crystallographica. Section E, Structure reports online 20130216 Pt 3

In the title compound, C16H10N2S2, the thienyl rings are inclined to one another by 62.71 (10)°, and are inclined by 63.94 (8) and 21.35 (8)° to the quinoline mean plane [maximum deviation = 0.031 (2) Å]. In the crystal, the mol-ecules pack in a herringbone pattern, with π-π stacking inter-actions [centroid-centroid distances = 3.7381 (15) and 3.7268 (15) Å]. ...[more]

PMID: 23476578

Similar Datasets

2,3-Bis(4-ethoxy-phen-yl)quinoxaline.

Project description:The title compound, C(24)H(22)N(2)O(2), was prepared by condensation of 1,2-bis-(4-ethoxy-phen-yl)ethane-1,2-dione and 1,2-diamino-benzene. The asymmetric unit contains one half-mol-ecule, close to a twofold axis. The plane of the quinoxaline ring is twisted with respect to the planes of the two ethoxy-phenyl ring systems, exhibiting dihedral angles of 39.95?(9)°. The crystal packing is dominated by weak C-H?? inter-actions. No classical hydrogen bonds or stacking inter-actions are observed.

| S-EPMC2980160 | biostudies-literature

2,3-Bis(4-bromo-phen-yl)quinoxaline.

Project description:The title compound, C(20)H(12)Br(2)N(2), was prepared by the reaction of 1-(3-bromo-phen-yl)-2-(4-bromo-phen-yl)ethane-1,2-dione with o-phenyl-enediamine in refluxing ethanol. In the mol-ecule, all bond lengths and angles are within normal ranges. The dihedral angle between the two benzene rings is 34.89?(1)°. The dihedral angles between the benzene rings and the quinoxaline system are 57.23?(1) and 36.75?(1)°. The crystal packing is stabilized by van der Waals forces.

| S-EPMC2915033 | biostudies-literature

2,3-Bis(thio-phen-2-yl)pyrazine-[2,3-f][1,10]phenanthroline.

Project description:The mol-ecule of the title compound, C(22)H(12)N(4)S(2), shows no crystallographic symmetry. The thiophene rings form different dihedral angles [40.15?(9) and 15.43?(10)°] with the pyrazine ring. A strong ?-? stacking inter-action occurs between adjacent pyrazine-[2,3-f][1,10]phenanthroline units with an inter-planar distance of 3.4352?(16)?Å.

| S-EPMC3344560 | biostudies-literature

Crystal structure of 2,3-bis-(4-methyl-phen-yl)benzo[g]quinoxaline.

Project description:The title compound, C26H20N2, was obtained during a search for new π-extended ligands with the potential to generate efficient phosphors with iridium(III) for organic light-emitting devices (OLEDs). The benzoquinoxaline ring system is almost planar (r.m.s. deviation = 0.076 Å). A pseudo-twofold rotation axis runs through the midpoints of the C2-C3 and C9-C10 bonds. The two phenyl rings are twisted relative to the benzoquinoxaline ring system, making dihedral angles of 53.91 (4) and 36.86 (6)°. In the crystal, C-H⋯π (arene) inter-actions link the mol-ecules, but no π-π inter-actions between aromatic rings are observed.

| S-EPMC5946986 | biostudies-literature

Bis[2-(thio-phen-2-yl)quinoxaline-?N (4)]silver(I) tetra-fluoridoborate.

Project description:In the title compound, [Ag(C12H8N2S)2]BF4, the two-coordinate Ag(I) ion lies on a crystallographic inversion center and is linearly bonded to the N-donor atoms of two separate quinoxaline ligands. The thio-phenyl ring of the ligand is nearly coplanar with the quinoxaline ring system [dihedral angle = 9.15?(13)°]. In the crystal, the complex mol-ecules pack in layers parallel to (-102) and form weak ?-? ring stacking inter-actions [minimum ring centroid separation = 3.7054?(17)?Å]. The tetra-fluoridoroborate anion is equally disordered about an inversion center.

| S-EPMC3588418 | biostudies-literature

Crystal structures of 2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine and 7-bromo-2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine.

Project description:The crystal structures of 2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine, C15H9N3S2 (1), and 7-bromo-2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine, C15H8BrN3S2 (2), are discussed. Both mol-ecules crystallize in space group P21/c. In 1, the thienyl rings are inclined to the mean plane of the pyrido-pyrazine moiety by 6.16?(7) and 86.66?(8)°, where as in 2 the corresponding dihedral angles are 33.29?(11) and 19.84?(9)°. The pyrido-pyrazine moiety is relatively planar in 1 with the two rings being inclined to each other by 1.33?(7)°. In 2, however, the pyrido-pyrazine moiety is buckled with the corresponding dihedral angle being larger at 8.78?(10)°. In the crystal of 1, the packing creates inter-secting bilayers; the layering results from the pyrido-pyrazine moieties being engaged in offset ?-stacking, where the inter-planar distance is 3.431?(9)?Å with an offset 1.14?Å. In the crystal of 2, the mol-ecules pack head-to-head and are linked by a series of C-H?Br and C-H?N inter-molecular inter-actions, forming layers parallel to the ab plane.

| S-EPMC6323875 | biostudies-other

Bis[?-2,3-bis-(imidazol-1-ylmeth-yl)quinoxaline]disilver(I) bis-(tetra-fluoridoborate).

Project description:The title compound, [Ag(2)(C(16)H(14)N(6))(2)](BF(4))(2), forms a centrosymmetric 22-membered metallamacrocycle via two Ag(I) ions bridging two 2,3-bis-(imidazol-1-ylmeth-yl)quinoxaline ligands. The Ag(I) ions are coordinated by two N donors of the imidazole groups, forming an approximately linear coordination geometry.

| S-EPMC2915115 | biostudies-literature

N,N'-Bis[3,5-bis-(2,6-diisopropyl-phen-yl)phen-yl]butane-2,3-diimine.

Project description:The title mol-ecule, C(64)H(80)N(2), lies on an inversion center wherein the central butane-diimine fragment [N=C(Me)-C(Me)=N] is essentially planar [maximum deviation = 0.002?(2)?Å] and its mean plane forms a dihedral of 70.88?(10)° with the attached benzene ring. In the symmetry-unique part of the mol-ecule, the dihedral angles between the benzene ring bonded to the N atom and the other two benzene rings are 89.61?(6) and 82.77?(6)°.

| S-EPMC3200583 | biostudies-literature

3-Acetyl-1-(2,3-dimethyl-phen-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N-H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N-H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N-C(= S)-N-C(=O)-C; maximum deviation = 0.047?(4)?Å] is 81.33?(10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and inter-molecular hydrogen bonding. In the crystal, mol-ecules form inversion dimers, which are linked into chains via R(2) (2)(12) and R(2) (2)(8) networks.

| S-EPMC3393991 | biostudies-literature

3-Acetyl-1-(2,3-dichloro-phen-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(9)H(8)Cl(2)N(2)OS, there are two mol-ecules in the asymmetric unit which are connected by a pair of N-H?S hydrogen bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation of each molecule.

| S-EPMC3414287 | 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