Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4-Dibutoxy-phenyl-boronic acid.

ABSTRACT: In the crystal of the title compound, C(14)H(23)BO(4), centrosymmetric dimers linked by pairs of O-H?O hydrogen bonds occur. The dimers are linked via C-H?O contacts, generating a two-dimensional array parallel to (12). These are inter-connected by weak O-H?O hydrogen bonds, as well as C-H?? inter-actions.

SUBMITTER: Dabrowski M

PROVIDER: S-EPMC2969364 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4-Dibutoxy-phenyl-boronic acid.

Dąbrowski Marek M Luliński Sergiusz S Serwatowski Janusz J Wilmowicz Agnieszka A

Acta crystallographica. Section E, Structure reports online 20090624 Pt 7

In the crystal of the title compound, C(14)H(23)BO(4), centrosymmetric dimers linked by pairs of O-H⋯O hydrogen bonds occur. The dimers are linked via C-H⋯O contacts, generating a two-dimensional array parallel to (12). These are inter-connected by weak O-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions. ...[more]

PMID: 21582929

Similar Datasets

2,4-Difluoro-phenyl-boronic acid.

Project description:The mol-ecular structure of the title compound, C(6)H(5)BF(2)O(2), is essentially planar (mean deviation = 0.019?Å), indicating electronic delocalization between the dihydroxy-boryl group and the aromatic ring. In the crystal structure, inversion dimers linked by two O-H?O hydrogen bonds arise. An intra-molecular O-H?F hydrogen bond reinforces the conformation and the same H atom is also involved in an inter-molecular O-H?F link, leading to mol-ecular sheets in the crystal.

| S-EPMC2967960 | biostudies-literature

(2,4-Dipropoxyphen-yl)boronic acid.

Project description:In the crystal, the title compound, C(12)H(19)BO(4), exists as a centrosymmetric O-H⋯O hydrogen-bonded dimer. Dimers are linked via C-H⋯O hydrogen bonds, generating an infinite zigzag chain oriented parallel to [1[Formula: see text]1]. The chains are assembled, giving sheets aligned parallel to (21[Formula: see text]) and inter-connected by weak C-H⋯π inter-actions, producing a three-dimensional network.

| S-EPMC3239085 | biostudies-literature

3-Amino-phenyl-boronic acid monohydrate.

Project description:In the title compound, C(6)H(8)BNO(2)·H(2)O, the almost planar boronic acid mol-ecules (r.m.s. deviation = 0.044 Å) form inversion dimers, linked by pairs of O-H⋯O hydrogen bonds. The water mol-ecules link these dimers into [100] chains by way of O-H⋯O hydrogen bonds, and N-H⋯O links generate (100) sheets.

| S-EPMC2979464 | biostudies-literature

3-Carb-oxy-2-methoxy-phenyl-boronic acid.

Project description:The mol-ecular structure of the title compound, 3-COOH-2-CH(3)O-C(6)H(3)B(OH)(2) or C(8)H(9)BO(5), is stabilized in part due to the presence of an intra-molecular O-H?O hydrogen bond. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds, generating a two-dimensional sheet structure aligned parallel to the (11) plane.

| S-EPMC2959364 | biostudies-literature

2-Meth-oxy-3-(tri-methyl-sil-yl)phenyl-boronic acid.

Project description:The mol-ecular structure of the title compound, C10H17BO3Si, features an intra-molecular O-H?O hydrogen bond; the boronic group group has an exo-endo conformation. In the crystal, the mol-ecules inter-act with each other by O-H?O hydrogen bonds, producing centrosymmetric dimers that are linked by weak ?-? stacking inter-actions featuring specific short B?C contacts [e.g. 3.372?(2)?Å], forming an infinite columnar structure aligned along the a-axis direction.

| S-EPMC4004439 | biostudies-literature

Crystal structure of 4-(meth-oxy-carbon-yl)phenyl-boronic acid.

Project description:In the title compound, C8H9BO4, the meth-oxy-carbonyl group is rotated out of the plane of the benzene ring by 7.70 (6)°. In the crystal, mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, involving the boronic acid OH groups, forming inversion dimers. The dimers are linked via O-H⋯O hydrogen bonds, involving a boronic acid OH group and the carbonyl O atom, forming undulating sheets parallel to (10-2). Within the sheets there are also C-H⋯O hydrogen bonds present, also involving the carbonyl O atom. The sheets are linked via C-H⋯π and offset face-to-face π-inter-actions between inversion-related mol-ecules [inter-centroid distance = 3.7843 (16) Å, inter-planar distance = 3.3427 (4) Å and offset = 1.744 Å], forming a three-dimensional structure.

| S-EPMC4647400 | biostudies-literature

3-Carb-oxy-phenyl-boronic acid-theophylline (1/1).

Project description:The title two-component mol-ecular crystal [systematic name: 3-(dihy-droxy-boran-yl)benzoic acid-1,3-dimethyl-7H-purine-2,6-dione (1/1)], C(7)H(7)BO(4)·C(7)H(8)N(4)O(2), comprises theophylline and 3-carb-oxy-phenyl-boronic acid mol-ecules in a 1:1 molar ratio. In the crystal, mol-ecules are self-assembled by O-H?O and N-H?N hydrogen bonds, generating layers parallel to (-209). The layers are stacked through ?-? [centroid-centroid distance = 3.546?(2)?Å] and C-H?? inter-actions.

| S-EPMC3414186 | biostudies-other

Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.

Project description:A small set of boronic acids acting as low nanomolar inhibitors of AmpC beta-lactamase were designed and synthesized in the effort to improve affinity, pharmacokinetic properties, and to provide a valid lead compound. X-ray crystallography revealed the binary complex of the best inhibitor bound to the enzyme, highlighting possibilities for its further rational derivatization and chemical optimization.

| S-EPMC3177945 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 3-cyano-phenyl-boronic acid.

Project description:In the title compound, C7H6BNO2, the mean plane of the -B(OH)2 group is twisted by 21.28 (6)° relative to the cyano-phenyl ring mean plane. In the crystal, mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds, forming chains propagating along the [101] direction. Offset π-π and B⋯π stacking inter-actions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals inter-actions constitute a further major contribution to the inter-molecular inter-actions, with H⋯H contacts accounting for 25.8% of the surface.

| S-EPMC5946963 | biostudies-literature

2,4-Dichloro-benzaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:The asymmetric unit of the title compound, C(13)H(8)Cl(2)N(4)O(4), contains two independent but similar and almost planar mol-ecules. An intra-molecular N-H⋯O hydrogen bond is observed in each mol-ecule.

| S-EPMC2962065 | 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