Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1,2,2-Tetra-kis(1,3-benzoxazol-2-yl)ethene.

ABSTRACT: The title compound, C(30)H(16)N(4)O(4), reveals [Formula: see text] crystallographic and mol-ecular symmetry and accordingly the asymmetric unit comprises one half-mol-ecule. The dihedral angle between the planes of the two geminal benzoxazole rings is 74.39?(5)°. The packing features weak C-H?N and ?-? inter-actions [centroid-centroid distance = 3.652?(1)?Å].

SUBMITTER: Hagos TK

PROVIDER: S-EPMC3213467 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,1,2,2-Tetra-kis(1,3-benzoxazol-2-yl)ethene.

Hagos Tesfamariam K TK Nogai Stefan D SD Dobrzańska Liliana L Cronje Stephanie S Raubenheimer Helgard G HG

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

The title compound, C(30)H(16)N(4)O(4), reveals [Formula: see text] crystallographic and mol-ecular symmetry and accordingly the asymmetric unit comprises one half-mol-ecule. The dihedral angle between the planes of the two geminal benzoxazole rings is 74.39 (5)°. The packing features weak C-H⋯N and π-π inter-actions [centroid-centroid distance = 3.652 (1) Å]. ...[more]

PMID: 22091046

Similar Datasets

1,1,2,2-Tetra-kis(1,3-benzothia-zol-2-yl)ethene chloro-form disolvate.

Project description:The asymmetric unit of the title solvate, C(30)H(16)N(4)S(4)·2CHCl(3), contains one half-molecule of tetrakis(2-benzothiazolyl)ethene, the complete molecule being generated by inversion symmetry, and one molecule of chloroform. Pairs of the benzothia-zole rings attached to the same carbon atom are almost perpendicular to each other, with an angle between planes of 85.74?(4)°. In the crystal, weak C-H?N and C-H?Cl interactions generate a three-dimensional network.

| S-EPMC3008001 | biostudies-literature

1,1,2,2-Tetra-kis[2,4-dichloro-6-(dieth-oxy-meth-yl)phen-oxy-meth-yl]ethene.

Project description:In the title compound, C(50)H(60)Cl(8)O(12), the mol-ecules are disordered about an inversion center located at the mid-point of the central C=C bond. These atoms show disorder and were modelled with two different orientations with site occupancies of 0.828?(3) and 0.172?(3). The dihedral angle between the two benzene rings in the asymmetric unit is 52.80?(6)°. Intramolecular C-H?O and C-H?Cl interactions occur and the crystal packing features inversion dimers linked by pairs of C-H?O bonds, generating R(2) (2)(10) loops.

| S-EPMC3470353 | biostudies-literature

1,1,2,2-Tetra-kis(diisopropyl-amino)diphosphane.

Project description:In the title compound, C(24)H(56)N(4)P(2), the distance between the P atoms [2.2988?(8) and 2.3013?(13)?Å in the major and minor occupancy components, respectively] is one of the longest reported for uncoordinated diphosphanes. The whole mol-ecule is disordered over two positions with site-occupation factors of 0.6447?(8) and 0.3553?(8). The structure adopts the synperiplanar conformation in the solid state [N-P-P-N torsion angle = 14.7?(5)°].

| S-EPMC2970049 | biostudies-literature

2-(1,3-Benzoxazol-2-yl)guanidinium chloride.

Project description:The non-H atoms of the cation of the title salt, C(8)H(9)N(4)O(+)·Cl(-), are approximately co-planar (r.m.s. deviation = 0.024?Å) with one amino group forming an intra-molecular hydrogen bond to the tertiary N atom of the benzoxazole fused-ring system. The cations and anions are linked by cyclic R(2) (1)(6) N-H?Cl hydrogen-bonding associations, generating linear chains running along the a-axis direction.

| S-EPMC3247517 | biostudies-literature

1,1,2,2-Tetra-kis(dimethyl-amino)-ethane-1,2-diium bis-(tetra-phenyl-borate) acetone disolvate.

Project description:The title compound, C(10)H(24)N(4) (2+)·2C(24)H(20)B(-)·2C(3)H(6)O, crystallizes with two acetone solvent mol-ecules per asymmetric unit. In the dication, both amidinium units are twisted about the central C-C single bond by 63.8?(3)° and the positive charges are delocalized over both N-C-N planes.

| S-EPMC3344502 | biostudies-literature

2-Methyl-1,3-benzoxazol-4-yl diphenyl-phosphinate.

Project description:The title compound, C(20)H(16)NO(3)P, was synthesized by the addition of diphenyl-phosphine chloride to a tetra-hydro-furan solution of Et(3)N and 2-methyl-1,3-benzoxazol-4-ol at 233?K. In the mol-ecule, the almost planar (r.m.s. deviation = 0.010?Å) benzoxazole moiety is attached to the slightly distorted tetra-hedral P atom [C-P-C-C torsion angle = 132.20?(18)°]. The crystal structure does not exhibit any significant inter-molecular inter-actions.

| S-EPMC3051727 | biostudies-literature

1,1,2,2-Tetra-kis(di-o-tolyl-phosphino)ethane.

Project description:The complete molecule of title compound, C(58)H(58)P(4), is generated by a crystallographic twofold rotation axis that passes through the center of the C(methine)-C(methine) bond of length 1.582?(4)?Å. The C-P bond lengths are 1.8824?(19) and 1.8991?(19)?Å. The P-C-P angle of 109.69?(9)° is essentially equal to the expected value of 109.5° for a tetra-hedral C atom. Although the C(methine)-P-C(aromatic) bond angles range from 102.67?(9) to 107.04?(9)°, the C(aromatic)-P-C(aromatic) bond angles of 96.72?(9) and 97.29?(9)° are significantly smaller. The steric demands of the o-tolyl groups cause deviations from the bond lengths and angles reported for its phenyl analog.

| S-EPMC2970080 | biostudies-other

2-(1,3-Benzoxazol-2-yl)-1-phenyl-ethenyl benzoate.

Project description:In the title mol-ecule, C(22)H(15)NO(3), the configuration about the ethyl-enic double bond is Z configuration and it is approximately coplanar with the adjacent phenyl ring and benzoxazole ring system as indicated by the C(H)=C(O)-C(phen-yl)-C(phen-yl) and O(benzoxazole)-C-C(H)=C(O) torsion angles of 179.88?(15) and 5.7?(2)°, respectively. The dihedral angle between the essentially planar (r.m.s. deviation = 0.080?Å) 2-(1,3-benzoxazol-2-yl)-1-phenyl-ethenyl group and the benzoate phenyl ring is 61.51?(6)°. A short intra-molecular O?O non-bonded inter-action of 2.651?(2)?Å is present.

| S-EPMC3201545 | biostudies-literature

2-(1,3-Benzoxazol-2-ylsulfan-yl)-1-phenyl-ethanone.

Project description:In the title compound, C(15)H(11)NO(2)S, a new thio-benzoxazole derivative, the dihedral angle between the benzoxazole ring and the phenyl ring is 9.91 (9)°. An inter-esting feature of the crystal structure is the short C⋯S [3.4858 (17) Å] contact, which is shorter than the sum of the van der Waals radii of these atoms. In the crystal structure, mol-ecules are linked together by zigzag inter-molecular C-H⋯N inter-actions into a column along the a axis. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid = 3.8048 (10) Å].

| S-EPMC2970099 | biostudies-literature

Tetra-kis(1,3-diphenyl-propane-1,3-dionato)hafnium(IV).

Project description:In the title compound, [Hf(C(15)H(11)O(2))(4)], the Hf(IV) atom is coordinated by four 1,3-diphenyl-propane-1,3-dionato ligands with an average Hf-O distance of 2.17?(3)?Å and O-Hf-O bite angles varying from 74.5?(1) to 75.02?(9)°. The coordination polyhedron shows a slightly distorted Archimedean square-anti-prismatic geometry. The crystal packing is stabilized by weak C-H?O inter-actions.

| S-EPMC3008122 | 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