Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,4-Bis[3-chloro-2-(chloro-meth-yl)prop-yl]benzene.

ABSTRACT: The title mol-ecule, C(14)H(18)Cl(4), possesses a crystallographically imposed inversion centre, which coincides with the centre of benzene ring. In the absence of classical inter-molecular inter-actions, van der Waals forces help the mol-ecules to pack in the crystal.

SUBMITTER: Xi H

PROVIDER: S-EPMC2968677 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,4-Bis[3-chloro-2-(chloro-meth-yl)prop-yl]benzene.

Xi Haitao H Gao Yajun Y Sun Xiaoqiang X Ma Zhijun Z Xiong Minqiu M

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

The title mol-ecule, C(14)H(18)Cl(4), possesses a crystallographically imposed inversion centre, which coincides with the centre of benzene ring. In the absence of classical inter-molecular inter-actions, van der Waals forces help the mol-ecules to pack in the crystal. ...[more]

PMID: 21582143

Similar Datasets

1,4-Bis(3-chloro-prop-oxy)benzene.

Project description:The mol-ecule of the title compound, C(12)H(16)Cl(2)O(2), has a center of inversion at the centroid of the benzene ring and the asymmetric unit contains one half-mol-ecule. Inter-molecular C-H?? inter-actions stabilize the crystal structure.

| S-EPMC3050300 | biostudies-literature

1,4-Bis(fluoro-meth-yl)benzene.

Project description:The title compound, C(8)H(8)F(2), lies across a crystallographic inversion centre. The structure features short C?F [2.8515?(18)?Å] and F?F [2.490?(4)?Å] contacts, which are significantly shorter than the sum of the van der Waals radii of these atoms. The F atom and methyl-ene H atoms are disordered over two positions with a site-occupancy ratio of 0.633?(3):0.367?(3). In the crystal structure, inter-molecular C-H?F inter-actions link neighboring mol-ecules into infinite chains along the b axis. In addition, C-H?? inter-actions link these mol-ecules along [10], forming a two-dimensional network parallel to (101).

| S-EPMC2968459 | biostudies-literature

1,4-Bis(iodo-meth-yl)benzene.

Project description:The centrosymmetric title compound, C(8)H(8)I(2), was prepared by metathesis from the dibromo analogue. In the crystal structure, weak C-H?I inter-actions link the mol-ecules into stacks down the b axis. The structure is further stabilized by short I?I contacts [3.8433?(2)?Å], forming undulating sheets in the (101) plane.

| S-EPMC2969495 | 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

1,4-Bis(chloro-meth-yl)naphthalene.

Project description:In the title mol-ecule, C(12)H(10)Cl(2), the torsion angles C(r)-C(r)-C(m)-Cl around the C(m)-C(r) bonds have values of -104.1 (4) and -101.9 (4)°, where C(m) is a methylene and C(r) is a ring C atom. The mol-ecules related by translation along the b axis are arranged into stacks by π-π inter-actions between unsubstituted and substituted aromatic rings of the naphthalene ring system (centroid-centroid distance = 3.940 Å).

| S-EPMC2962209 | biostudies-literature

1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene.

Project description:In the title compound, C(14)H(14)N(4), the center of the phenyl-ene group is a crystallographic center of inversion. The compound is composed of three aromatic rings displaying a Z-like conformation. The dihedral angle between the pyrazole rings and the central phenyl ring is 83.84 (9)°.

| S-EPMC3151929 | biostudies-literature

1,4-Bis(3-pyridylmethyl-eneamino-meth-yl)benzene.

Project description:The title compound, C(20)H(18)N(4), is a flexible 3,3'-bipyridyl-type ligand with a long spacer group between the two pyridyl functions. The mol-ecule crystallizes around an inversion center, with one half-mol-ecule in the asymmetric unit and a dihedral angle of 71.85?(8)° between the pyridine ring and the central benzene ring.

| S-EPMC2968309 | 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

1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(14)H(14)N(4)·2H(2)O consists of two half-mol-ecules of the main mol-ecule, each situated on an inversion center, and two mol-ecules of water. One-dimensional chains of water mol-ecules are built up by O-H⋯O hydrogen bonds which are then linked with the main mol-ecule via O-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular network in the ac plane.

| S-EPMC2968890 | biostudies-literature

1,4-Dichloro-2,3-bis-(chloro-meth-yl)butane.

Project description:The title compound, C6H10Cl4, adopts a geometric arrangement with two C-Cl bonds anti-periplanar to C-H bonds and the other two anti-periplanar to C-C bonds. While minimising steric replusion, this arrangement still gives rise to some intramolecular C-H⋯Cl contacts. In the crystal, mol-ecules are connected into a three-dimensional architecture via further C-H⋯Cl contacts.

| S-EPMC3589066 | 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