Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-1-(4-hy-droxy-phen-yl)ethanone.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(7)ClO(2), consists of two independent mol-ecules, with comparable geometries. Both mol-ecules are approximately planar (r.m.s. deviations = 0.040 and 0.064?Å for the 11 non-H atoms). In the crystal, mol-ecules are linked via inter-molecular O-H?O and C-H?O hydrogen bonds into chains two mol-ecules thick along (-101).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414342 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Chloro-1-(4-hy-droxy-phen-yl)ethanone.

Fun Hoong-Kun HK Quah Ching Kheng CK Shetty Divya N DN Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

The asymmetric unit of the title compound, C(8)H(7)ClO(2), consists of two independent mol-ecules, with comparable geometries. Both mol-ecules are approximately planar (r.m.s. deviations = 0.040 and 0.064 Å for the 11 non-H atoms). In the crystal, mol-ecules are linked via inter-molecular O-H⋯O and C-H⋯O hydrogen bonds into chains two mol-ecules thick along (-101). ...[more]

PMID: 22904875

Similar Datasets

1-[4-(4-Chloro-but-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(12)H(15)ClO(3), the eth-oxy group is nearly coplanar with the benzene ring, making a dihedral angle of 9.03 (4)°, and is involved in an intra-molecular O-H⋯O hydrogen bond to the neighbouring hy-droxy group.

| S-EPMC3051656 | biostudies-literature

1-[4-(2-Chloro-eth-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(10)H(11)ClO(3), obtained by the reaction of 2,4-dihy-droxy-acetophenone, potassium carbonate and 1-bromo-2-chloro-ethane, an intra-molecular O-H⋯O hydrogen bond occurs.

| S-EPMC3051432 | biostudies-literature

1-[5-(4-Chloro-phen-yl)-3-(4-hy-droxy-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-ethanone.

Project description:In the title compound, C(17)H(15)ClN(2)O(2), the benzene rings form dihedral angles of 89.56?(5) and 5.87?(5)° with the mean plane of the pyrazoline ring (r.m.s. deviation = 0.084?Å). The dihedral angle between the two benzene rings is 87.57?(5)°. In the crystal, mol-ecules are linked by O-H?O and C-H?O hydrogen bonds into a helical chain along the c axis. Between the chains weak C-H?N and C-H?O inter-actions are present. The crystal studied was an inversion twin with a domain ratio of 0.72?(4):0.28?(4).

| S-EPMC3297879 | biostudies-literature

Synthesis and crystal structure of 2-chloro-1-(3-hy-droxy-phen-yl)ethanone.

Project description:The structure of 2-chloro-1-(3-hy-droxy-phen-yl)ethanone, C8H7ClO2, an α-halo-ketone is described. The mol-ecule is planar (r.m.s. deviation = 0.0164 Å) and in the crystal, inversion-symmetric dimers are formed as a result of pairs of strong O-H⋯O and weak C-H⋯O hydrogen bonds. A brief comparison is made with structurally related compounds deposited in the CSD. In addition, the synthesis and some spectroscopic details are presented.

| S-EPMC9638980 | biostudies-literature

1-(4-{[(E)-5-Chloro-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.

Project description:The title compound, C(15)H(13)ClN(2)O(2), is an aromatic Schiff base having an aldoxime substituent; the two rings on the azomethine linkage are twisted by 44.4 (1)°. The phenolic H atom is intra-molecularly hydrogen bonded to the azomethine N atom, generating an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H⋯N hydrogen bonds occur. The crystal studied was a non-merohedral twin with a 35% minor component.

| S-EPMC2983254 | biostudies-literature

1-[4-(4-Hy-droxy-phen-yl)piperazin-1-yl]ethanone.

Project description:In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7?(1)°. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds, forming chains propagating along [010].

| S-EPMC3884329 | biostudies-literature

1-(2-Hy-droxy-4,5-dimeth-oxy-phen-yl)ethanone.

Project description:The mol-ecular structure of the title compound, C10H12O4, contains an intra-molecular hydrogen bond between the phenol and acetyl substituents. In the crystal, C-H?? inter-actions act between the mol-ecules in a cyclic manner to stabilize stacks of mol-ecules along the b axis. Several C-H?O inter-actions are present between the stacks.

| S-EPMC3588311 | biostudies-literature

1-(3-tert-Butyl-4-hy-droxy-phen-yl)ethanone.

Project description:The title compound, C(12)H(16)O(2), is approximately planar (r.m.s. deviation = 0.030?Å), apart from two methyl groups of the tert-butyl unit [deviations of the C atoms = 1.140?(2) and -1.367?(1)?Å]. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into hexa-meric rings with R(6) (6)(48) graph-set motifs.

| S-EPMC3007371 | biostudies-literature

1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone.

Project description:In title compound, C(10)H(12)O(4), all of the non-H atoms lie approximately in a plane with the largest deviation being 0.061?(2)?Å. An intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. No classical inter-molecular hydrogen bonding occurs, with only van der Waals forces stabilizing the crystal structure.

| S-EPMC3254463 | biostudies-literature

1-{5-[(E)-(2-Fluoro-phen-yl)diazen-yl]-2-hy-droxy-phen-yl}ethanone.

Project description:Theere are two independent mol-ecules in the asymmetric unit of the title compound, C(14)H(11)FN(2)O(2), each with a trans configuration with respect to the azo double bond. The dihedral angle between the aromatic rings is 17.21 (2)° in one mol-ecule and 19.06 (2)° in the other. Each of the independent mol-ecules has an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are stacked along [100].

| S-EPMC3051973 | 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