Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[(5-Bromo-pent-yloxy)meth-yl]pyrene.

ABSTRACT: In the title compound, C(22)H(21)BrO, other than the Br atom, the non-H atoms are approximately co-planar [maxium deviation = 0.178?(2)?Å] and the alk-oxy chain shows an all-anti conformation. A weak inter-molecular C-H?Br hydrogen bond contributes to the stabilization of the crystal structure.

SUBMITTER: Bian X

PROVIDER: S-EPMC3120293 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-[(5-Bromo-pent-yloxy)meth-yl]pyrene.

Bian Xixi X Cai Tongjiang T Zhou Jin J Huang Qin Q Xiao Xunwen X

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

In the title compound, C(22)H(21)BrO, other than the Br atom, the non-H atoms are approximately co-planar [maxium deviation = 0.178 (2) Å] and the alk-oxy chain shows an all-anti conformation. A weak inter-molecular C-H⋯Br hydrogen bond contributes to the stabilization of the crystal structure. ...[more]

PMID: 21754829

Similar Datasets

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

4-[3-(Bromo-meth-yl)benz-yloxy]-3-methoxy-benzaldehyde.

Project description:In the title compound, C(16)H(15)BrO(3), the dihedral angle between the mean planes of the two benzene rings is 76.64?(2)°. In the crystal structure, there are weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.724?(3)?Å, as well as an inter-molecular C?Br distance [3.495?(2)?Å] which is slightly less than the sum of the van der Waals radii for these atoms.

| S-EPMC2983760 | biostudies-literature

2-(5-Bromo-pent-yl)-4-chloro-5-[2-(4-meth-oxy-phen-yl)ethyl-amino]-pyridazin-3(2H)-one.

Project description:The asymmetric unit of the title compound, C(18)H(23)BrClN(3)O(2), consists of two mol-ecules which exhibit different conformations of the pentyl chains [C-C-C-C torsion angles of -60.4 (4) and 175.8 (3)°]. The crysal packing exhibits a chain structure, generated through the O atom of the pyridazinone forming a hydrogen bond with the N-H group of an adjacent mol-ecule.

| S-EPMC3008024 | biostudies-literature

1-(Hydroxy-meth-yl)pyrene.

Project description:The asymmetric unit of the title compound, C(17)H(12)O, contains two molecules, in which the fused aromatic ring systems are almost planar [maximum deviations = 0.0529?(9) and 0.0256?(9)?Å]. In the crystal, aromatic ?-? stacking inter-actions (perpendicular distance of centroids of about 3.4?Å) and strong O-H?O hydrogen bonds result in a helical arrangement of pyrenyl dimers.

| S-EPMC2979693 | biostudies-literature

4-Benz-yloxy-2-bromo-1-meth-oxy-benzene.

Project description:In the title compound, C(14)H(13)BrO(2), the phenyl ring is oriented at a dihedral angle of 72.6 (3)° with respect to the bromo-meth-oxy-phenyl ring. The crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC3200816 | biostudies-literature

1-(Bromo-meth-yl)adamantane.

Project description:The title compound, C(11)H(17)Br, has crystallographically imposed mirror symmetry in the solid state with mol-ecules bis-ected by mirror planes parallel to the crystallographic ac plane (five C atoms, three H atoms and the Br atom lie on the mirror plane). The asymmetric unit contains one half-mol-ecule. The crystal packing is stabilized only via weak non-specific van der Waals inter-actions.

| S-EPMC3151762 | biostudies-literature

2,5-Bis(bromo-meth-yl)biphen-yl.

Project description:In the title compound, C(14)H(12)Br(2), the Br atoms lie on opposite sides of their ring plane. The biphenyl inter-planar angle is 53.52?(8)°. The packing is characterized by several H?Br contacts to each Br atom, but at long distances of 3.07-3.43?Å.

| S-EPMC2969676 | biostudies-literature

4-Amino-8-cyclo-pent-yloxy-7-meth-oxy-2H-chromen-2-one monohydrate.

Project description:The asymmetric unit of the title compound, C(15)H(17)NO(4)·H(2)O, contains two organic mol-ecules with marginal differences between them and two water molecules. The chromine rings in both mol-ecules are essentially planar, with maximum deviations of 0.012 (2) and 0.060 (2) Å. The five-membered cyclo-pentane rings adopt envelope conformations in both mol-ecules. In the crystal, the components are linked by N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, resulting in a three-dimensional network.

| S-EPMC3344523 | biostudies-literature

2,6-Bis(bromo-meth-yl)pyridine.

Project description:In the title mol-ecule, C7H7Br2N, the C-Br vectors of the bromo-methyl groups extend to opposite sides of the pyridine ring and are oriented nearly perpendicular to its plane. In the crystal, the mol-ecules related by a c-glide-plane operation are arranged into stacks along the c axis, with centroid-centroid distances between neighboring aromatic rings of 3.778?(2)?Å. A short Br?Br contact of 3.6025?(11)?Å is observed within a pair of inversion-related mol-ecules.

| S-EPMC3914046 | biostudies-literature

3-(4-Bromo-phen-yl)cyclo-pent-2-en-1-one.

Project description:In the title compound, C11H9BrO, the cyclo-pentenone ring is almost planar with an r.m.s. deviation of 0.0097?Å. The largest inter-ring torsion angles [2.4?(3), 1.3?(3) and 3.53?(2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The mol-ecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3?(1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of mol-ecules that pack side-to-side with the same relative orientation of phenyl and cyclo-pentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face inter-actions exist between pairs of sheets with edge-to-edge and edge-to-face O?H-C(sp (2)) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77?Å) also exists between pairs of sheets.

| S-EPMC4051020 | 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