Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3,6,7-Tetra-kis(bromo-meth-yl)naphthalene.

ABSTRACT: The title compound, C(14)H(12)Br(4), crystallizes with imposed inversion symmetry. In the crystal, the mol-ecules pack in layers parallel to (10). The layers involve two Br?Br and one H?Br contact. Between the layers, one contact each of types Br?Br, H?Br and Br?? is observed.

SUBMITTER: Skibinski M

PROVIDER: S-EPMC3007070 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3,6,7-Tetra-kis(bromo-meth-yl)naphthalene.

Skibiński Maciej M Azov Vladimir A VA Jones Peter G PG

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

The title compound, C(14)H(12)Br(4), crystallizes with imposed inversion symmetry. In the crystal, the mol-ecules pack in layers parallel to (10). The layers involve two Br⋯Br and one H⋯Br contact. Between the layers, one contact each of types Br⋯Br, H⋯Br and Br⋯π is observed. ...[more]

PMID: 21588045

Similar Datasets

Crystal structure of a tetra-kis-substituted pyrazine compound: 2,3,5,6-tetra-kis-(bromo-meth-yl)pyrazine.

Project description:The title compound, C8H8Br4N2, crystallizes in the enanti-omorphic-defining space group P41212 and has a refined Flack x parameter of 0.04?(4). In the asymmetric unit, there are two half-mol-ecules; the whole mol-ecules (A and B) are generated by twofold rotation symmetry. In mol-ecule A, the twofold axis is normal to the pyrazine ring passing through the centre of the ring, while in mol-ecule B, the twofold rotation axis lies in the plane of the pyrazine ring bis-ecting the C-C aromatic bonds. The two mol-ecules are pseudo-mirror images of one another, and the best fit of the two mol-ecules was obtained for inverted mol-ecule B on mol-ecule A, with an r.m.s. deviation of 0.1048?Å and a maximum deviation of any two equivalent atoms of 0.2246?Å. In the crystal, the A mol-ecules are linked by weak C-H?Br hydrogen bonds and Br?Br inter-actions [3.524?(3)?Å], forming a three-dimensional framework. The B mol-ecules are also linked by weak C-H?Br hydrogen bonds and Br?Br inter-actions [3.548?(3)?Å], forming a three-dimensional network that inter-penetrates the network of A mol-ecules.

| S-EPMC4158553 | biostudies-literature

6,12,18,24-Tetra-meth-oxy-4,10,16,22-tetra-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-kis-(2-phenyl-eth-yl)resorcin[4]arene.

Project description:The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-H?O contacts in the crystal structure.

| S-EPMC3254447 | biostudies-literature

5,11,17,23-Tetra-kis(chloro-meth-yl)-25,26,27,28-tetra-propoxycalix[4]arene.

Project description:The title calix[4]arene, C(44)H(52)Cl(4)O(4), displays the 1,3-alternate conformation with crystallographically imposed twofold symmetry. Four phenolic rings of the calixarene backbone are tilted into the calix cavity, making dihedral angles of 77.42 (2) and 77.71 (2)° with the plane of the four bridging methyl-ene C atoms. Pairs of opposite aromatic rings make dihedral angles of 25.16 (3) and 24.58 (4)° with each other. In the crystal, the calixarene mol-ecules pack with the formation of infinite columns along the b axis. The crystal packing shows a network of C-H⋯Cl contacts, which can be considered as non-classical hydrogen bonds.

| S-EPMC3052014 | biostudies-literature

2,3,6,7-Tetra-bromo-9-butyl-9H-carbazole.

Project description:In he title compound, C(16)H(13)Br(4)N, the carbazole skeleton is nearly planar [maximum deviation = 0.026 (4) Å] and makes a dihedral angle of 73.8 (4)° with the butyl chain. The butyl chain adopts a trans conformation. In the crystal, mol-ecules are linked by π-π stacking inter-actions [centroid-centroid distance = 3.559 (2) Å].

| S-EPMC3344475 | biostudies-literature

2,3,6,7-Tetra-meth-oxy-9,10-anthra-quinone.

Project description:Mol-ecules of the title compound, C(18)H(16)O(6), are almost planar [maximum deviation = 0.096?(4)?Å] and reside on crystallographic centres of inversion. They adopt a conformation in which the C(meth-yl)-O bonds are directed along the mol-ecular short axis [C-C-O-C torsion angles of -175.3?(3) and 178.2?(3)°]. In the crystal, mol-ecules adopt a slipped-parallel arrangement with ?-? stacking inter-actions along the a axis with an inter-planar distance of 3.392?(4)?Å. Weak C-H?O inter-actions link the mol-ecules into sheets parallel to (10-2).

| S-EPMC3415025 | 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

Crystal structure of 2,3,5,6-tetra-kis[(methyl-sulfan-yl)meth-yl]pyrazine.

Project description:The title compound, C12H20N2S4, synthesized by the reaction of 2,3,5,6-tetra-kis-(bromo-meth-yl)pyrazine with sodium methane-thiol-ate, crystallizes with a half -mol-ecule in the asymmetric unit. The whole mol-ecule is generated by inversion symmetry; the inversion centre being located in the centre of the pyrazine ring. The mol-ecule has an S-shaped conformation with two (methyl-sulfan-yl)methyl substituent arms directed above the plane of the pyrazine ring and two below. The C(H3)-S-C(H2)-C(aromatic) torsion angles are 70.47 (18) and -67.65 (17)°, respectively. In the crystal, mol-ecules are linked via weak C-H⋯S hydrogen bonds, forming chains along [001] and enclosing R 2 (2)(12) ring motifs. The chains are linked by further weak C-H⋯S hydrogen bonds, forming sheets lying parallel to (101).

| S-EPMC4186201 | biostudies-literature

Tetra-kis[3,5-bis-(trifluoro-meth-yl)phenyl]tin(IV).

Project description:The title mol-ecule, [Sn(C(8)H(3)F(6))(4)], lies on a twofold rotation axis with the Sn(IV) ion in a distorted tetra-hedral coordination environment. Both -CF(3) groups attached to one of the unique benzene rings are disordered over two sets of sites, with the ratios of refined occupancies being 0.719?(14):0.281?(14) and 0.63?(5):0.37?(5).

| S-EPMC2969316 | biostudies-literature

Tetra-kis(μ(3)-2-{[1,1-bis-(hydroxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-methoxy-phenol-ato)tetra-nickel(II) tetra-hydrate.

Project description:The title complex, [Ni(4)(C(12)H(15)NO(4))(4)]·4H(2)O, has crystal-lographic fourfold inversion symmetry, with each Ni(II) ion coordinated in a slightly distorted square-pyramidal coordination environment and forming an Ni(4)O(4) cubane-like core. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds connect complex and water mol-ecules to form a three-dimensional network. The O atom of one of the unique hydroxy-methyl groups is disordered over two sites, with the ratio of occupancies being approximately 0.79:0.21.

| S-EPMC2961190 | biostudies-literature

Crystal structure of tetra-kis-(μ3-2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)tetra-kis-[aqua-copper(II)]: a redetermination at 200 K.

Project description:The crystal structure of the tetra-nuclear title compound, [Cu4(C12H15NO5)4(H2O)4], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941-947], based on room-temperature data. In the previously published structure, no standard uncertainties are recorded for the deprotonated hy-droxy-methyl group and water mol-ecule O atoms coordinating to the metal atom indicating that they were not refined; furthermore, the H atoms of some OH groups and water mol-ecules have not been positioned accurately. Since the current structure was determined at a lower temperature, all atoms, including the H atoms of these hy-droxy groups and the water mol-ecule, have been determined more accurately resulting in improved standard uncertainties in the bond lengths and angles. Diffraction data were collected at 200 K, rather than the more usual 100 K, due to apparent disordering at lower temperatures. In addition, it is now possible to report intra- and inter-molecular O-H⋯O inter-actions. In the title complex molecule, which has crystallographic -4 symmetry, the Cu(II) ions are coordinated by the tridentate Schiff base ligands and water mol-ecules, forming a tetra-nuclear Cu4O4 cubane-like core. The Cu(II) ion adopts a CuNO5 elongated octa-hedral environment. The coordination environment of Cu(II) at 200 K displays a small contraction of the Cu-N/O bonds, compared with the room-temperature structure. In the crystal lattice, the neutral clusters are linked by inter-molecular O-H⋯O hydrogen bonds into a one-dimensional hydrogen-bonding network propagating along the b axis.

| S-EPMC4647398 | 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