Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Dibromo-indan-1-ol.

ABSTRACT: In the title compound, C(9)H(8)Br(2)O, the cyclo-pentene ring adopts an envelope conformation with the brominated C atom as the flap. In the crystal, mol-ecules are linked by strong O-H⋯O hydrogen bonds into zigzag C(4) chains along [010]. In addition, a C-H⋯π inter-action involving the benzene ring and the H atom attached to the hy-droxy-lated C atom is observed.

SUBMITTER: Celik I

PROVIDER: S-EPMC3435824 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,5-Dibromo-indan-1-ol.

Celik Ismail I Akkurt Mehmet M Yilmaz Makbule M Tutar Ahmet A Erenler Ramazan R García-Granda Santiago S

Acta crystallographica. Section E, Structure reports online 20120825 Pt 9

In the title compound, C(9)H(8)Br(2)O, the cyclo-pentene ring adopts an envelope conformation with the brominated C atom as the flap. In the crystal, mol-ecules are linked by strong O-H⋯O hydrogen bonds into zigzag C(4) chains along [010]. In addition, a C-H⋯π inter-action involving the benzene ring and the H atom attached to the hy-droxy-lated C atom is observed. ...[more]

PMID: 22969670

Similar Datasets

2,5-Dibromo-pyridine.

Project description:In the title compound, C(5)H(3)Br(2)N, C-H⋯N hydrogen-bonding inter-actions and Br⋯Br inter-actions [3.9418 (3) and 3.8986 (3) Å] connect the mol-ecules into planar sheets stacked perpendicular to the b axis. In addition, pyrid-yl-pyridyl inter-sheet π-π stacking inter-actions [centroid-centroid distance = 4.12 (1) Å] result in a three-dimensional network.

| S-EPMC2969055 | biostudies-literature

2,4-Dibromo-naphthalen-1-ol.

Project description:In the essentially planar (r.m.s. deviation = 0.023 Å) title compound, C(10)H(6)Br(2)O, an intra-molecular O-H⋯Br hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked by an ⋯O-H⋯O-H⋯O- C(2) chain extending along [100], which involves the same H atom that participates in the intra-molecular hydrogen bond. Aromatic π-π inter-actions [centroid-centroid separation = 3.737 (4) Å] help to consolidate the packing.

| S-EPMC3213629 | biostudies-literature

Plant-Mediated Enantioselective Transformation of Indan-1-one and Indan-1-ol. Part 2.

Project description:The main purpose of this publication was to obtain the S-enantiomer of indan-1-ol with high enantiomeric excess and satisfactory yield. In our research, we used carrot callus cultures (Daucuscarota L.), whereby the enzymatic system reduced indan-1-one and oxidized indan-1-ol. During the reaction of reduction, after five days, we received over 50% conversion, with the enantiomeric excess of the formed S-alcohol above 99%. In turn, during the oxidation of racemic indan-1-ol after 15 days, 36.7% of alcohol with an enantiomeric excess 57.4% S(+) remained in the reaction mixture. In addition, our research confirmed that the reactions of reduction and oxidation are competing reactions during the transformation of indan-1-ol and indan-1-one in carrot callus cultures.

| S-EPMC6930634 | biostudies-literature

2,5-Dibromo-terephthalic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(4)Br(2)O(4)·2H(2)O, contains one half-mol-ecule of 2,5-dibromo-terephthalic acid (DBTA) and one water mol-ecule. The DBTA mol-ecule is centrosymmetric. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional framework.

| S-EPMC2960662 | biostudies-literature

5,7-Dibromo-2-methyl-quinolin-8-ol.

Project description:In the title compound, C(10)H(7)Br(2)NO, the mol-ecule possesses a planar geometry with an r.m.s deviation of 0.0383 Å for all non-H atoms. The crystal structure displays O-H⋯N and C-H⋯O hydrogen bonding, as well as Br⋯Br contacts [3.6284 (4) Å].

| S-EPMC3099784 | biostudies-literature

1,4-Dibromo-2,5-dimeth-oxy-benzene.

Project description:The asymmetric unit of the title compound, C(8)H(8)Br(2)O(2), contains one half-mol-ecule, the complete mol-ecule being generated by inversion symmetry.

| S-EPMC3006813 | biostudies-literature

1,4-Dibromo-2,5-dibut-oxy-benzene.

Project description:The asymmetric unit of the title compound, C(14)H(20)Br(2)O(2), contains one half-mol-ecule located on an inversion centre. The mol-ecule is essentially planar, with a maximum deviation from the best plane of the non-H atoms of 0.054?(2)?Å for the O atoms. The but-oxy group adopts a fully extended all-trans conformation. In the crystal, mol-ecules are connected via C-Br?O halogen bonds [Br?O = 3.2393?(19)?Å] into a two-dimensional corrugated network in the bc plane.

| S-EPMC3435705 | biostudies-literature

2-[(E)-2,5-Dimethoxy-benzyl-idene]indan-1-one.

Project description:In the title compound, C(18)H(16)O(3), the mean plane of the nine-membered indane system makes a dihedral angle of 3.71 (17)° with the benzene ring of the dimethoxy-phenyl group. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O hydrogen contacts. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions, which link neighbouring mol-ecules into one-dimensional extended chains along the [100] direction. In the structure, C-H⋯π inter-actions are also observed.

| S-EPMC2977741 | biostudies-literature

1,4-Dibromo-2,5-bis-(hex-yloxy)benzene.

Project description:In the centrosymmetric title compound, C(18)H(28)Br(2)O(2), the alkyl chains adopt a fully extended all-trans conformation and each of them is almost planar. In addition, the alkyl chains are coplanar with the benzene ring. Inter-molecular Br⋯Br inter-actions [3.410 (3) Å] are present, resulting in a one-dimensional supra-molecular architecture.

| S-EPMC2959468 | biostudies-literature

meso-Dimethyl 2,5-dibromo-hexa-ne-dioate.

Project description:The title compound, C(8)H(12)Br(2)O(4), lies about a crystallographic center of inversion at the midpoint of the central C-C bond. The latter is also repsonsible for the observation of the meso form. There are no intra-molecular hydrogen bonds, but mol-ecules are connected by inter-molecular C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC3011740 | 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