Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2,4,6-Trichloro-phen-oxy)ethyl bromide.

ABSTRACT: In the title compound, C(8)H(6)BrCl(3)O, there is a weak intra-molecular C-H?Cl hydrogen bond involving the O bound methylene group. Intermolecular Cl?Cl contacts [3.482?(2)?Å] are present in the crystal structure.

SUBMITTER: Yao JF

PROVIDER: S-EPMC2971271 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2,4,6-Trichloro-phen-oxy)ethyl bromide.

Yao Jin-Feng JF Yang Wen-Ge WG Zhao Xiao-Lei XL Shen Lei L Hu Yong-Hong YH

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

In the title compound, C(8)H(6)BrCl(3)O, there is a weak intra-molecular C-H⋯Cl hydrogen bond involving the O bound methylene group. Intermolecular Cl⋯Cl contacts [3.482 (2) Å] are present in the crystal structure. ...[more]

PMID: 21578439

Similar Datasets

(E)-Benzaldehyde (2,4,6-trichloro-phen-yl)hydrazone.

Project description:The title compound, C(13)H(9)Cl(3)N(2), was obtained from a condensation reaction of benzaldehyde and 2,4,6-trichloro-phenyl-hydrazine. The mol-ecule assumes an E configuration with the phenyl ring and trichloro-phenyl ring located on opposite sides of the C=N bond. The phenyl ring is oriented at a dihedral angle of 42.58 (12)° with respect to the tricholorophenyl ring. In the crystal, the mol-ecules are linked via N-H⋯N hydrogen bonds, forming supra-molecular chains running along the c axis. π-π stacking is present between parallel trichloro-phenyl rings of adjacent mol-ecules, the face-to-face and centroid-centroid distances being 3.369 (14) and 3.724 (2) Å, respectively.

| S-EPMC3051786 | biostudies-literature

2-[(E)-(2,4,6-Trichloro-phen-yl)imino-meth-yl]phenol.

Project description:The title mol-ecule, C(13)H(8)Cl(3)NO, exists in a trans configuration with respect to the C=N bond [1.278?(2)?Å]. The benzene rings form a dihedral angle of 24.64?(11)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, ?-? stacking inter-actions [centroid-centroid distances = 3.6893?(14)?Å] are observed.

| S-EPMC3212321 | biostudies-literature

N-(2,4,6-Trichloro-phen-yl)maleamic acid.

Project description:In the crystal structure of the title compound, C(10)H(6)Cl(3)NO(3), the conformation of the amide bond is trans. The C=O and O-H bonds of the acid group are in the relatively rare anti position to each other. This is a consequence of the intra-molecular O-H?O hydrogen bond donated to the amide carbonyl group stabilizing the mol-ecular structure. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.

| S-EPMC3213587 | biostudies-other

2-Phen-oxy-ethyl benzoate.

Project description:In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85?(7)°. In the crystal, centrosymmetrically related mol-ecules are weakly associated through pairs of inter-actions between a benzene ring and an O atom of the ester group [ring centroid?O = 3.952?(7)?Å], and through pairs of inter-actions between the other benzene ring and an O atom of the phen-oxy group [ring centroid?O = 3.912?(7)?Å], giving chains extending along [110].

| S-EPMC3648312 | biostudies-literature

1-(4-Chloro-benzo-yl)-3-(2,4,6-trichloro-phen-yl)thio-urea hemihydrate.

Project description:The asymmetric unit of the title compound, C(14)H(8)Cl(4)N(2)OS·0.5H(2)O, contains two independent mol-ecules with different conformations with respect to the aromatic ring planes, and one water mol-ecule. The bond lengths and angles are typical of thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The dihedral angles between the two aromatic planes are 66.93?(8) and 60.44?(9)° in the two independent mol-ecules. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the crystal packing is characterized by N-H?O, O-H?S and O-H?Cl hydrogen bonds.

| S-EPMC2968059 | biostudies-literature

2,2-Bis(4-but-oxy-phen-yl)-1,1,1-trichloro-ethane.

Project description:In the structure of the title compound, C(22)H(27)Cl(3)O(2), which is the 4-but-oxy-phenyl analogue of the insecticidally active 4-meth-oxy-phenyl compound meth-oxy-chlor, the dihedral angle between the two benzene rings is 79.61 (11)°. Present also in the structure is an intra-molecular aromatic C-H⋯Cl inter-action.

| S-EPMC3414989 | biostudies-literature

Ethyl N-[2-(4-phen-oxy-phen-oxy)eth-yl]carbamate.

Project description:The title compound, C(17)H(19)NO(4), which is a non-toxic insect growth regulator with the common name fenoxycarb, contains two independent and conformationally different mol-ecules in the asymmetric unit. Although the inter-ring dihedral angles are similar [62.21?(15) and 63.00?(14)°], the side-chain orientations differ. In the crystal, the mol-ecules are linked through N-H?O hydrogen-bonding associations, giving chains which extend along [110], while intra- and inter-molecular aromatic C-H?? inter-actions give sheet structures parallel to [110].

| S-EPMC3470196 | biostudies-literature

4-(4-Fluoro-phen-yl)-3-(pyridin-4-yl)-1-(2,4,6-trichloro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(20)H(12)Cl(3)FN(4), the pyrazole ring forms dihedral angles of 47.51?(9), 47.37?(9) and 74.37?(9)° with the directly attached 4-fluoro-phenyl, pyridine and 2,4,6-trichloro-phenyl rings, respectively. Only one of the two amino H atoms is involved in hydrogen bonding. The crystal packing is characterized by N-H?N hydrogen bonds, which result in infinite chains parallel to the c axis.

| S-EPMC3435635 | biostudies-literature

Ethyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(10)H(11)NO(5), the methyl C atom deviates by 0.830?(6)?Å from the mean plane of the remaining non-H atoms. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3344636 | biostudies-literature

2,4,6-Trimethyl-anilinium bromide.

Project description:In the title compound, C(9)H(14)N(+)·Br(-), an intra-molecular N-H?Br inter-action links the anion to the cation. In the crystal structure, inter-molecular N-H?Br inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC2970227 | 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