Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Bis[(naphthalen-2-ylsulfan-yl)meth-yl]benzene.

ABSTRACT: Mol-ecules of the title compound, C(28)H(22)S(2), are located on a crystallographic mirror plane with one half-mol-ecule in the asymmetric unit. The dihedral angle between the phenyl ring and the naphthyl unit is 83.14?(7)°. In the crystal, mol-ecules are inter-connected by C-H?S and C-H?? inter-actions.

SUBMITTER: Padilla-Mata E

PROVIDER: S-EPMC3344549 | biostudies-other | 2012 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,3-Bis[(naphthalen-2-ylsulfan-yl)meth-yl]benzene.

Padilla-Mata Esteban E German-Acacio Juan M JM García-Eleno Marco A MA Reyes-Martínez Reyna R Morales-Morales David D

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

Mol-ecules of the title compound, C(28)H(22)S(2), are located on a crystallographic mirror plane with one half-mol-ecule in the asymmetric unit. The dihedral angle between the phenyl ring and the naphthyl unit is 83.14 (7)°. In the crystal, mol-ecules are inter-connected by C-H⋯S and C-H⋯π inter-actions. ...[more]

PMID: 22590311

Similar Datasets

1,3-Bis(chloro-meth-yl)benzene.

Project description:The title compound, C8H8Cl2, used in the synthesis of many pharmaceutical inter-mediates, forms a three-dimensional network through chlorine-chlorine inter-actions in the solid-state that measure 3.513?(1) and 3.768?(3)?Å.

| S-EPMC3770413 | biostudies-literature

1,3-Bis(bromo-meth-yl)-2-nitro-benzene.

Project description:In the title compound, C(8)H(7)Br(2)NO(2), an inter-mediate for the synthesis of macrocycles, the NO(2) group makes a dihedral angle of 65.07?(19)° with the arene ring, and the bromo-methyl substituents adopt a trans conformation about the ring such that the mol-ecule closely approximates C2 symmetry.

| S-EPMC2984041 | biostudies-literature

1,3-Bis[(-)-(S)-(1-phenyl-eth-yl)imino-meth-yl]benzene.

Project description:The title compound, C(24)H(24)N(2), is an enanti-omerically pure bis-aldimine, which displays twofold crystallographic symmetry, with two C atoms of the central benzene ring lying on the symmetry axis. The imine group is slightly twisted from the benzene core, with a dihedral angle of 12.72 (16)° between the benzene ring and the C=N-C(*) plane. The terminal phenyl rings make an angle of 66.44 (4)° and are oriented in opposite directions with respect to the benzene ring. In the crystal, mol-ecules inter-act weakly through a C-H⋯π inter-action involving the phenyl rings, and form chains along the 2(1) screw-axis in the [100] direction.

| S-EPMC3151960 | biostudies-literature

1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

Project description:The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

| S-EPMC2960992 | biostudies-literature

Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.

Project description:The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74?(11) and 85.83?(10)° with the central aromatic ring and 57.08?(9)° with each other. The three-dimensional structure is controlled mainly by weak C-H?N and C-H?? inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

| S-EPMC4908573 | biostudies-literature

A monoclinic polymorph of 1,3-bis-(2-pyridylamino-meth-yl)benzene.

Project description:The mol-ecules of the title compound, C(18)H(18)N(4), are linked by two different N-H?N(pyrid-yl) hydrogen bonds into a linear chain.

| S-EPMC2915309 | biostudies-literature

Bis{?-1,3-bis-[(benzimidazol-1-yl)meth-yl]benzene-?N:N}bis-[dichloridozinc(II)] dimethyl-formamide disolvate.

Project description:In the title compound, [Zn(2)Cl(4)(C(22)H(18)N(4))(2)]·2C(3)H(7)NO, the 1,3-bis-[(benzimidazol-1-yl)meth-yl]benzene ligand bridges two ZnCl(2) units, forming a centrosymmetric dinuclear mol-ecule. The Zn(II) atom shows a distorted tetra-hedral coordination within a Cl(2)N(2) donor set.

| S-EPMC2969561 | biostudies-literature

Bis{μ-1,3-bis-[(2-methyl-1H-benzimid-azol-1-yl)meth-yl]benzene-κN:N}bis-(diiodidocadmium).

Project description:In the title compound, [Cd(2)I(4)(C(24)H(22)N(4))(2)], the 1,3-bis-[(2-methyl-1H-benzimidazol-1-yl)meth-yl]benzene ligand bridges two CdI(2) units, forming a centrosymmetric dinuclear complex. The Cd(II) atom adopts a distorted tetra-hedral coordination geometry. In the crystal, complex mol-ecules are linked into columns parallel to [101] by π-π stacking inter-actions, with centroid-centroid distances of 3.558 (2) Å.

| S-EPMC3246984 | biostudies-literature

Bis[2-(1,3-benzothia-zol-2-ylsulfan-yl)eth-yl] ether.

Project description:The complete molecule of title compound, C(18)H(16)N(2)OS(4), is generated by crystallographic twofold symmetry, with the O atom lying on the rotation axis. The dihedral angle between the ring systems is 80.91?(2)°. In the crystal, adjacent mol-ecules are connected through ?-? stacking inter-actions [centroid-centroid distance = 3.882?(2)?Å], forming a three-dimensional network.

| S-EPMC2980199 | biostudies-literature

1,3-Bis[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]propane.

Project description:In the title compound, C(21)H(18)N(6)S(2), the dihedral angles between the aromatic rings in the two 4-(4-pyrid-yl)pyrimidine residues are 23.45?(13) and 2.67?(14)°. Whereas one of the C-S-C-C torsion angles corresponds to a staggered conformation, the other is gauche.

| S-EPMC2961214 | 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