Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Arshad MN

PROVIDER: S-EPMC2984041 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Arshad Muhammad Nadeem MN Edson Katheryne Zumberge KZ Mough Scott T ST Holman K Travis KT

Acta crystallographica. Section E, Structure reports online 20100313 Pt 4

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. ...[more]

PMID: 21580661

Similar Datasets

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

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-Dibenz-yloxy-5-(bromo-meth-yl)benzene.

Project description:In the title compound, C(21)H(19)BrO(2), the dihedral angles between the central benzene ring and the two peripheral rings are 50.28 (5) and 69.75 (2)°. The O-CH(2) bonds lie in the plane of the central ring and adopt a syn-anti conformation.

| S-EPMC2968864 | biostudies-literature

2,3-Bis(bromo-meth-yl)-1,4-diphenyl-benzene.

Project description:In the title compound, C(20)H(16)Br(2), the terminal phenyl groups are twisted away from the central ring by approximately 55 and -125° (average of four dihedral angles each), respectively. The crystal structure is stabilized by a combination of inter-molecular and intra-molecular inter-actions including inter-molecular ?-? stacking inter-actions [C atoms of closest contact = 3.423?(5)?Å].

| S-EPMC2980209 | biostudies-literature

1,2-Bis(bromo-meth-yl)-4,5-dimethoxy-benzene.

Project description:Colourless crystals of the title compound, C(10)H(12)Br(2)O(2), were synthesized from 1,2-dimethoxy-benzene. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2969947 | biostudies-literature

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

Project description: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.

| S-EPMC3344549 | 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

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

2-{2,4,6-Tris(bromo-meth-yl)-3,5-bis-[(1,3-dioxoisoindolin-2-yl)meth-yl]benz-yl}iso-indoline-1,3-dione toluene monosolvate.

Project description:In the title compound, C36H24Br3N3O6·C7H8, the toluene solvent mol-ecule is associated with the receptor mol-ecule via C-H⋯π bonding. The planes of the phthalimido groups are inclined at 77.0 (1), 63.0 (1) and 77.8 (1)° with respect to the benzene ring. The mol-ecular conformation is stabilized by C-H⋯O and C-H⋯Br hydrogen bonds. The crystal structure features non-classical hydrogen bonds of the C-H⋯N, C-H⋯O and C-H⋯Br type, leading to a three-dimensional cross-linking of molecules. The pattern of non-covalent inter-molecular bonding is completed by O⋯Br halogen bonds [3.306 (3) Å], which link the receptor mol-ecules into infinite strands extending along the a-axis direction.

| S-EPMC3998546 | 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

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