Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(5-Bromo-2-methyl-phen-yl)propan-2-ol.

ABSTRACT: The title compound, C(10)H(13)BrO, crystallizes with four independent mol-ecules of similar geometry in the asymmetric unit. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into tetra-mers.

SUBMITTER: Zeng H

PROVIDER: S-EPMC3009192 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(5-Bromo-2-methyl-phen-yl)propan-2-ol.

Zeng Hui H Liu Xin-Lin XL

Acta crystallographica. Section E, Structure reports online 20101030 Pt 11

The title compound, C(10)H(13)BrO, crystallizes with four independent mol-ecules of similar geometry in the asymmetric unit. The crystal packing is stabilized by inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into tetra-mers. ...[more]

PMID: 21589124

Similar Datasets

2-(4-Methyl-phen-yl)-1-(phenyl-sulfon-yl)propan-2-ol.

Project description:The title compound, C(16)H(18)O(3)S, features a U-shape mol-ecular structure with a dihedral angle between the terminal benzene rings of 20.8?(1)°. An intra-molecular O-H?O hydrogen bond helps to stabilize the mol-ecular structure. Inter-molecular classical O-H?O and weak C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3247583 | biostudies-literature

1-Methyl-amino-3-(2,4,6-trimethyl-phen-yl)propan-2-ol.

Project description:The methyl-amino-propyl chain in the title compound, C(13)H(21)NO, adopts an extended zigzag conformation and the N atom shows a trigonal coordination. The N atom acts as hydrogen-bond acceptor to the hy-droxy group of an adjacent mol-ecule, generating a helical chain running along the b axis. The amino H atom is not involved in hydrogen bonding.

| S-EPMC3099974 | biostudies-literature

2-(Adamantan-1-yl)-1,3-bis-(4-methyl-phen-yl)propan-2-ol.

Project description:The conformation of the title compound, C27H34O, is stabilized by a weak intra-molecular C-H?? inter-action. The dihedral angle between the benzene rings is 54.79?(4)°. The adamantane cage consists of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 107.75?(10)-111.35?(9)°. Although the mol-ecule contains a hy-droxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed in the crystal structure.

| S-EPMC3588353 | biostudies-literature

2-Bromo-2-methyl-1-[4-(methyl-sulfan-yl)phen-yl]propan-1-one.

Project description:In the title compound, C(11)H(13)BrOS, the thio-ether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063?Å. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, extending in zigzag chains along the b axis. A weak intra-molecular C-H?Br hydrogen bond is also observed, which forms an S(6) ring motif.

| S-EPMC3379344 | biostudies-literature

2-(2-Benzyl-phen-yl)propan-2-ol.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(16)H(18)O, a tertiary alcohol featuring a 2-benzyl-phenyl substituent. Co-operative O-H⋯O hydrogen bonds connect the mol-ecules into tetra-mers.

| S-EPMC3238955 | biostudies-literature

2-[2-(5-Bromo-thio-phen-2-yl)-4,5-diphenyl-1H-imidazol-1-yl]-3-phenyl-propan-1-ol.

Project description:In the title compound, C28H23BrN2OS, the dihedral angles formed by the imidazole ring with the 5-bromo-thio-phenyl and phenyl rings are 76.90?(8), 34.02?(10) and 80.93?(11)°, respectively. The chiral centre maintains the S configuration of the l-phenyl-alaninol starting material. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, forming chains running parallel to the a-axis direction.

| S-EPMC3884508 | biostudies-literature

1-(Piperidin-1-yl)-3-(2,4,6-trimethyl-phen-yl)propan-2-ol.

Project description:The title compound, C(17)H(27)NO, features a bufferfly-shaped substituted 2-propanol having an aromatic ring on the 1-carbon and a piperidine ring on the 3-carbon. The piperidine ring adopts a chair conformation and its N atom shows a trigonal coordination. In the crystal, the hy-droxy group inter-acts with the N atom of an inversion-related mol-ecule, generating an O-H⋯N hydrogen-bonded dimer.

| S-EPMC3052162 | biostudies-literature

2-[5-Methyl-2-(propan-2-yl)phen-oxy]-N'-{2-[5-methyl-2-(propan-2-yl)phen-oxy]acet-yl}acetohydrazide.

Project description:The complete mol-ecule of the title compound, C(24)H(32)N(2)O(4), is generated by a crystallographic inversion center. The 1,2-diethyl-hydrazine moiety is nearly planar, with a maximum deviation of 0.024 (1) Å, and is inclined at a dihedral angle of 54.20 (4)° with the phenyl ring. In the crystal, [001] chains are formed, with adjacent mol-ecules in the chain linked by pair of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed.

| S-EPMC3200946 | biostudies-literature

1-[(4-Bromo-phen-yl)(morpholin-4-yl)meth-yl]naphthalen-2-ol.

Project description:The title compound, C(21)H(20)BrNO(2), was obtained from a condensation reaction of 4-bromo-benzaldehyde, 2-naphthol and morpholine. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, closing a six-membered ring. The dihedral angle between the naphthalene ring system and the benzene ring is 76.72?(8)°. In addition to the intra-molecular hydrogen bond, the O-H groups of centrosymmetrically related mol-ecules form short inter-molecular H?O contacts of 2.59?Å. These mol-ecules are also linked by pairs of C-H?O inter-actions, generating an R(2) (2)(14) motif.

| S-EPMC3275269 | biostudies-literature

(E)-1-[(2,4,6-Tri-bromo-phen-yl)diazen-yl]naphthalen-2-ol.

Project description:The title azo mol-ecule, C16H9Br3N2O, adopts a trans conformation with respect to the azo N=N double bond. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. The dihedral angle between the naphthalene ring system and the benzene ring is 33.80?(16)°. In the crystal, mol-ecules are stacked in columns along the a axis by ?-? inter-actions [centroid-centroid distances = 3.815?(3) and 3.990?(3)?Å].

| S-EPMC3793751 | 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