Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Methyl-enedinitrilo)tetra-acetonitrile.

ABSTRACT: The mol-ecular structure of the title compound, C(9)H(10)N(6), exhibits four cyano-methyl groups around a central N-CH(2)-N unit. In the crystal structure, mol-ecules are connected via inter-molecular C-H?N hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Song XH

PROVIDER: S-EPMC2984036 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Methyl-enedinitrilo)tetra-acetonitrile.

Song Xiang-Hua XH Feng Mei-Li ML Wang Kai K Li Yu-Feng YF Zhu Hong-Jun HJ

Acta crystallographica. Section E, Structure reports online 20100310 Pt 4

The mol-ecular structure of the title compound, C(9)H(10)N(6), exhibits four cyano-methyl groups around a central N-CH(2)-N unit. In the crystal structure, mol-ecules are connected via inter-molecular C-H⋯N hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21580624

Similar Datasets

Acetonitrile-bis-(2-methyl-1,10-phenanthroline)copper(II) tetra-fluoridoborate.

Project description:In the title compound, [Cu(CH(3)CN)(C(13)H(10)N(2))(2)](BF(4))(2), the fivefold-coordinate Cu(II) atom is located on a twofold rotation axis, imposing twofold symmetry to the complete cation. The structure exhibits disorder of the anion, which was successfully refined using a two-site model with 0.810?(3):0.190?(3) occupancy. The methyl group of the acetonitrile ligand is likewise disordered, here about the twofold rotation axis in a 1:1 ratio.

| S-EPMC3009216 | biostudies-literature

Tetra-kis(acetonitrile-?N)lithium hexa-fluoridophosphate acetonitrile monosolvate.

Project description:In the title compound, [Li(CH(3)CN)(4)]PF(6)·CH(3)CN, the asymmetric unit consists of three independent tetra-hedral [Li(CH(3)CN)(4)](+) cations, three uncoordinated PF(6) (-) anions and three uncoordinated CH(3)CN solvent mol-ecules. The three anions are disordered over two sites through a rotation along one of the F-P-F axes. The relative occupancies of the two sites for the F atoms are 0.643?(16):0.357?(16), 0.677?(10):0.323?(10) and 0.723?(13):0.277?(13). The crystal used was a racemic twin, with approximately equal twin components.

| S-EPMC3212250 | biostudies-literature

Acetonitrile-dicarbon-yl(?-penta-methyl-cyclo-penta-dien-yl)iron(II) tetra-fluorido-borate.

Project description:In the structure of the title compound, [Fe{?(5)-C(5)(CH(3))(5)}(NCCH(3))(CO)(2)]BF(4), the arrangement of ligands around the Fe atom is in a pseudo-octa-hedral three-legged piano-stool fashion in which the penta-methyl-cyclo-penta-dienyl (Cp*) ligand occupies three apical coordination sites, while the two carbonyl and one acetonitrile ligands form the basal axes of the coordination. The Fe-N bond length is 1.924?(3)?Å and the Fe-Cp* centroid distance is 1.722?Å.

| S-EPMC3151746 | biostudies-literature

Tetra-pyrazine-platinum(II) bis-(tetra-fluoro-borate) acetonitrile hemisolvate.

Project description:The improved synthesis and characterization of tetra-pyrazine-platinum(II) bis-(tetra-fluoro-borate) acetonitrile hemisolvate, [Pt(C(4)H(4)N(2))(4)](BF(4))(2)·0.5CH(3)CN, is reported. The unit cell contains a half equivalent of an acetonitrile solvent mol-ecule per tetra-pyrazine-platinum(II) ion. The coordination geometry of the Pt(II) ion is almost square-planar, with the Pt atom residing on an inversion center. The BF(4) (-) counter-anion, located at a general position, has an idealized tetra-hedral geometry and an acetonitrile solvent mol-ecule, the methyl group of which is disordered over two equal positions, sits on a twofold rotation axis.

| S-EPMC2959766 | biostudies-literature

Poly[[(acetonitrile)-lithium(I)]-?(3)-tetra-fluoridoborato].

Project description:The structure of the title compound, [Li(BF(4))(CH(3)CN)](n), consists of a layered arrangement parallel to (100) in which the Li(+) cations are coordinated by three F atoms from three tetra-fluoridoborate (BF(4) (-)) anions and an N atom from an acetonitrile mol-ecule. The BF(4) (-) anion is coordinated to three different Li(+) cations though three F atoms. The structure can be described as being built from vertex-shared BF(4) and LiF(3)(NCCH(3)) tetra-hedra. These tetra-hedra reside around a crystallographic inversion center and form 8-membered rings.

| S-EPMC3089248 | biostudies-literature

(2-Carb-oxy-acetato-?O,O)(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?N,N',N'',N''')nickel(II) perchlorate acetonitrile solvate.

Project description:In the crystal structure of the title salt, [Ni(C(3)H(3)O(4))(C(16)H(36)N(4))]ClO(4)·CH(3)CN, the macrocycle folds around the Ni(II) atom, which is also chelated by the carboxyl-ate monoanion. The geometry is a distorted NiN(4)O(2) octa-hedron. The formula units are connected by N-H?O hydrogen bonds into centrosymmetric dimers. Further N-H?O and O-H?O hydrogen bonds link the complex mol-ecules and the perchlorate ions.

| S-EPMC3009135 | biostudies-literature

Tetra-chlorido(1,10-phenanthroline-?N,N')platinum(IV) acetonitrile hemisolvate.

Project description:The asymmetric unit of the title compound, [PtCl(4)(C(12)H(8)N(2))]·0.5CH(3)CN, contains two crystallographically independent Pt(IV) complexes with very similar geometry and one solvent mol-ecule. In the complexes, each Pt(IV) ion is six-coordinated in a distorted octa-hedral environment by two N atoms of the 1,10-phenanthroline ligand and four Cl atoms. Because of the different trans effects of the N and Cl atoms, the Pt-Cl bonds trans to the N atom are slightly shorter than those trans to the Cl atom. The compound displays numerous inter-molecular ?-? inter-actions between six-membered rings, with a shortest centroid-to-centroid distance of 3.654?Å. There are also weak intra- and inter-molecular C-H?Cl hydrogen bonds.

| S-EPMC2968349 | biostudies-literature

Tris(phenanthroline-κN,N')cobalt(II) tetra-fluoridoborate acetonitrile solvate.

Project description:In the crystal structure of the title compound, [Co(C(12)H(8)N(2))(3)](BF(4))(2)·CH(3)CN, the mol-ecular packing involves dimers of distorted octahedrally coordinated cations which are held together by one π-π [centroid-centroid = 3.542 (4) Å] and two C-H⋯π inter-actions [2.573 (4) Å] resulting in a P4AE (Parallel Fourfold Aryl Embrace) motif. The anions are found in aryl boxes formed from the phenanthroline ligands.

| S-EPMC2959989 | biostudies-literature

2-[4-(Methyl-sulfon-yl)phen-yl]acetonitrile.

Project description:In the title compound, C(9)H(9)NO(2)S, the benzene ring and the acetonitrile group are approximately coplanar, with a C-C-C-C torsion angle of 1.1?(3)° between them. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into layers parallel to (001).

| S-EPMC3052001 | biostudies-literature

2-(7-Methyl-1H-indol-3-yl)acetonitrile.

Project description:In the title compound, C(11)H(10)N(2), the carbonitrile group is twisted away from the indole plane [C(cy)-C(me)-C(ar)-C(ar) = 66.6?(2)°; cy = cyanide, me = methyl-ene and ar = aromatic]. In the crystal, N-H?N hydrogen bonds link the mol-ecules into C(7) chains propagating in the [001] direction.

| S-EPMC3254484 | 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