Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5,12-Diselena-3,4,13,14-tetra-aza-tri-cyclo[9.3.0.0^2,6]tetra-deca-3,13-diene.

ABSTRACT: The title compound, C₈H₈N₄Se₂, crystallizes in a non-symmetrical conformation with a dihedral angle between the heterocycles of 45.0 (3)° and a nearly strain-free tetra-methyl-ene tether. The crystal studied was non-merohedrally twinned with a fractional contribution of 0.342 (3) for the minor twin component.

SUBMITTER: Detert H

PROVIDER: S-EPMC9462177 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5,12-Diselena-3,4,13,14-tetra-aza-tri-cyclo[9.3.0.02,6]tetra-deca-3,13-diene.

Detert Heiner H Schollmeyer Dieter D

IUCrData 20201211 Pt 12

The title compound, C8H8N4Se2, crystallizes in a non-symmetrical conformation with a dihedral angle between the heterocycles of 45.0 (3)° and a nearly strain-free tetra-methyl-ene tether. The crystal studied was non-merohedrally twinned with a fractional contribution of 0.342 (3) for the minor twin component. ...[more]

PMID: 36337336

Similar Datasets

5,12-Dimethyl-pyrazino-[1,2-a:4,5-a']dibenzimidazole-5,12-diium dichloride dihydrate.

Project description:The title hydrated salt, C18H18N4(2+)·2Cl(-)·2H2O, sits about an inversion centre, such that the asymmetric unit contains one half-mol-ecule. In the crystal, hydrogen bonds occur between the water mol-ecules and chloride anions, and there is π-π stacking of the benzene and imidazole rings of inversion-related pairs of mol-ecules, with a centroid-centroid distance of 3.704 (17) Å.

| S-EPMC3588989 | biostudies-literature

Ethyl 9-fluoro-5,12-dioxo-5,12-dihydro-indolizino[2,3-g]quinoline-6-carboxyl-ate.

Project description:In the title mol-ecule, C(18)H(11)FN(2)O(4), the fused four- ring system is essentially planar, with an r.m.s. deviation of 0.032 Å. In the crystal, mol-ecules are connected by π-π stacking inter-actions [centroid-centroid distances = 3.5684 (9) and 3.8247 (9) Å] into chains along [100].

| S-EPMC3414993 | biostudies-literature

6,11-Dihydroxy-naphthacene-5,12-dione.

Project description:The mol-ecule of the title compound, C(18)H(10)O(4), is centrosymmetric and planar. A long phenolic O-H bond is observed [1.19 (9) Å], which is involved in an intra-molecular hydrogen bond between the phenolic and quinonoid O atoms. The mol-ecules pack in a herringbone pattern and are linked to each other via inter-molecular C-H⋯O hydrogen bonds (2.73-2.77 Å).

| S-EPMC2924183 | biostudies-literature

(C-meso-N-meso-5,12-Dimethyl-7,14-diphenyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) bis-[O,O'-bis-(4-methyl-phen-yl) dithio-phosphate].

Project description:The title complex, [Ni(C(24)H(32)N(4))](C(14)H(14)O(2)PS(2))(2), comprises a centrosymmetric [Ni(meso-diphen-yl[14]dien)](2+) dication (meso-diphen-yl[14]dien is C-meso-N-meso-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene) and two O,O'-bis-(4-methyl-phen-yl) dithio-phosphate anions. The Ni(II) ion lies on an inversion center and is chelated by a tetra-amine macrocycle ligand in a slightly distorted NiN(4) square-planar geometry. Two S atoms from symmetry-related anions are located in pseudo-axial positions with respect to the Ni(II) ion, with Ni⋯S distances of 3.1869 (8) Å. In the crystal, bifurcated inter-molecular N-H⋯S(S) hydrogen bonds connect cations and pairs of anions into three-component clusters. Weak inter-molecular C-H⋯S hydrogen bonds link these clusters into chains along [100].

| S-EPMC3011755 | biostudies-literature

(C-meso-N-meso-5,12-Dimethyl-7,14-diphenyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)copper(II) bis-[O,O'-bis-(4-methyl-phen-yl)dithio-phosphate].

Project description:In the title compound, [Cu(C(24)H(32)N(4))](C(14)H(14)O(2)PS(2))(2), the Cu(II) atom lies on an inversion center and is chelated by the macrocyclic ligand in a distorted CuN(4) square-planar geometry. Two O,O'-bis-(4-methyl-phen-yl)dithio-phosphate anions occupy the axial positions with long Cu⋯S distances of 3.0090 (8) Å. Inter-molecular N-H⋯S and C-H⋯S hydrogen bonding is present between the anions and the cation.

| S-EPMC3011789 | biostudies-literature

2,3-Dimeth-oxy-5,12-tetra-cenequinone.

Project description:The mol-ecule of the title compound, C(20)H(14)O(4), is approximately planar [maximum deviation 0.168 (2) Å]. The two meth-oxy groups are slightly twisted relative to the plane of the 5,12-tetra-cenequinone system, with twist angles of 3.3 (3) and 5.6 (2)°. All O atoms are involved in intermolecular C-H⋯O inter-actions and the mol-ecules are arranged into slipped face-to-face stacks along the b axis via π-π inter-actions with an inter-planar distance of 3.407 (2) Å.

| S-EPMC2968390 | biostudies-literature

Decachloro-hexa-1,5-diene.

Project description:The title compound, C(6)Cl(10), cystallizes in a nearly C2-symmetrical gauche conformation. Both trichloro-vinyl groups are nearly planar [Cl-C-C-Cl torsion angles = -178.47 (12) and -179.93 (11)°] and the lengths of their C-Cl bonds increase from the terminal trans and cis C-Cl bonds to the inter-nal bonds. The Cl-C-Cl bond angles of the terminal dichloro-methyl-ene units are compressed to 111.75 (11) and 111.40 (11)°.

| S-EPMC3379281 | biostudies-literature

Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-i][5]helicene-7,9-dione.

Project description:The title compound, C26H20O5, crystallizes with two independent molecules (A and B) in the asymmetric unit, which differ primarily in the location of the -OCH3 groups. In the crystal, the mol-ecules form a layered structure parallel to (10-1) by C-H⋯O hydrogen-bonded networks. Adjacent layers are also linked by further C-H⋯O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4257283 | biostudies-literature

6H,13H-5,12:7,14-Dimethano-dinaphtho-[2,3-d:2,3-i][1,3,6,8]tetra-azecine.

Project description:In the title compound, C(24)H(20)N(4), obtained through the condensation of naphthalene-2,3-diamine with formaldehyde in methanol, the mol-ecule is located on a special position of site symmetry -4. Due to symmetry considerations, the aromatic rings are strictly perpendicular to each other. In the crystal, mol-ecules are linked by pairs of C-H⋯π inter-actions into columns along [110].

| S-EPMC3344019 | biostudies-literature

Stereoselective borylative ketone-diene coupling.

Project description:In the presence of catalytic Ni(cod)(2) and P(t-Bu)(3), ketones, dienes, and B(2)(pin)(2) undergo a stereoselective multicomponent coupling reaction. Upon oxidation, the reaction furnishes 1,3-diols as the major reaction product.

| S-EPMC3195430 | biostudies-literature