Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[(1R,3S)-2,2-Dichloro-3-(hy-droxy-meth-yl)cyclo-prop-yl]methanol.

ABSTRACT: The title compound, C(5)H(8)Cl(2)O(2), represents a meso isomer crystallizing in a chiral space group with two mol-ecules per asymmetric unit. The mol-ecules form helical associates with a pitch of 6.31?Å along the a axis via O-H?O hydrogen bonds. The overall three-dimesional supra-molecular architecture is stabilized by C-Cl?O halogen bonding, with a Cl?O separation of 3.139?(3)?Å and a C-Cl?O angle of 162.5?(2)°.

SUBMITTER: Kailani MH

PROVIDER: S-EPMC3569760 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[(1R,3S)-2,2-Dichloro-3-(hy-droxy-meth-yl)cyclo-prop-yl]methanol.

Kailani Mohammed H MH

Acta crystallographica. Section E, Structure reports online 20130112 Pt 2

The title compound, C(5)H(8)Cl(2)O(2), represents a meso isomer crystallizing in a chiral space group with two mol-ecules per asymmetric unit. The mol-ecules form helical associates with a pitch of 6.31 Å along the a axis via O-H⋯O hydrogen bonds. The overall three-dimesional supra-molecular architecture is stabilized by C-Cl⋯O halogen bonding, with a Cl⋯O separation of 3.139 (3) Å and a C-Cl⋯O angle of 162.5 (2)°. ...[more]

PMID: 23424506

Similar Datasets

[(1R,3S)-3-(1,3-Dithian-2-yl)-2,2-dimethyl-cyclo-prop-yl]diphenyl-methanol.

Project description:In the title compound, C(22)H(26)OS(2), prepared from (-)-1R-cis-caronaldehyde, the 1,3-dithiane ring adopts a chair conformation. An intra-molecular O-H?S hydrogen bond influences the mol-ecular conformation. In the crystal, weak inter-molecular C-H?S and C-H?O hydrogen bonds link the mol-ecules into chains propagating along [010].

| S-EPMC2969564 | biostudies-literature

(5R)-5-[(1R)-2,2-Dichloro-1-methyl-cyclo-prop-yl]-2-methyl-cyclo-hex-2-en-1-one.

Project description:The title compound, C(11)H(14)Cl(2)O, was synthesized by the reaction of a dichloro-methane solution of (R)-carvone and potassium tert-butano-late in the presence of a catalytic amount of benzyl-triethyl-ammonium chloride in chloro-form. The cyclo-hexene ring adopts a half-boat conformation. The cyclo-propyl ring is unsymmetrical, the shortest C-C bond being distal to the alkyl-substituted C atom. The crystal packing is stabilized only by van der Waals inter-actions.

| S-EPMC3152127 | biostudies-literature

(1R,3S)-3-Hydroxy-meth-yl-N-isopropyl-2,2-dimethyl-cyclo-propane-carboxamide.

Project description:The asymmetric unit of the title compound, C(10)H(19)NO(2), prepared from (-)-1R-cis-caronaldehyde, contains two independent mol-ecules. In the crystal structure, inter-molecular O-H?O and O-H?N hydrogen bonds form an extensive three-dimensional hydrogen-bonding network.

| S-EPMC2980056 | biostudies-literature

2,2-[(E)-3,3-Diphenyl-prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(27)H(26)O(4), each of the cyclo-hexenone rings adopts a half-chair conformation. The dihedral angle between the two phenyl rings is 89.53 (5)°. The hy-droxy and carbonyl O atoms face each other and are orientated to allow the formation of two intra-molecular O-H⋯O hydrogen bonds, which are typical of xanthene derivatives.

| S-EPMC3239045 | biostudies-literature

(1R*,2R*,3S*,4R*)-Diethyl 4-hy-droxy-4-methyl-2-(4-methyl-phen-yl)-6-oxo-cyclo-hexane-1,3-di-carboxyl-ate.

Project description:The title compound, C20H26O6, is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclo-hexane ring has a chair conformation. The ethyl fragment of the eth-oxy-carbonyl group in the 3-position is disordered over two sets of sites in a 0.650?(6):0.350?(6) ratio. The hy-droxy group acts as a bifurcated hydrogen-bond donor, forming both intra- and inter-molecular hydrogen bonds with ester carbonyl O atoms. The inter-molecular hydrogen bonds form inversion dimers in the crystal.

| S-EPMC3648266 | biostudies-literature

Bis-{(E)-3-[2-(hy-droxy-imino)-propan-amido]-2,2-dimethyl-propan-1-aminium} bis[?-(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamido-(2-)]bis-{[(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide]-copper(II)} bis-((E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate) acetonitrile disolvate.

Project description:The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu(2+) ions are connected by two N-O bridging groups [Cu?Cu separation = 4.0608?(5)?Å] while the Cu(II) ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol-ecule co-crystallizes with two mol-ecules of acetonitrile, two mol-ecules of the protonated ligand (E)-3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-propan-1-aminium and two negatively charged (E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide and hydro-gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2(+.)C9H16N3O4(-) are connected via an extended system of hydrogen bonds.

| S-EPMC3588739 | biostudies-literature

(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(21)H(21)NO(6), each of the cyclo-hexenone rings adopts a half-chair conformation. Each of the pairs of hy-droxy and carbonyl O atoms are oriented to allow for the formation of intra-molecular O-H?O hydrogen bonds, which are typical of xanthene derivatives.

| S-EPMC3254576 | biostudies-literature

(2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)Cl(2)O(2), the dihedral angle between the mean planes of the two benzene rings is 7.7?(6)°. The crystal packing is influenced by O-H?O hydrogen bonds, which form chains along [010]. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.6697?(13)?Å] are observed, which may contribute to the crystal packing stability.

| S-EPMC3275046 | biostudies-literature

4,6-Dichloro-2-{[(E)-(3-{[(E)-3,5-dichloro-2-hy-droxy-benzyl-idene]amino}-2,2-dimethyl-prop-yl)imino]-meth-yl}phenol.

Project description:In the title compound, C(19)H(18)Cl(4)N(2)O(2), a potential tetra-dentate Schiff base ligand, the dihedral angle between the two benzene rings is 48.01?(10)°. The configuration about the two C=N bonds is E and two intra-molecular O-H?N hydrogen bonds make S(6) ring motifs. In the crystal, mol-ecules are linked along the b axis via inter-molecular C-H?Cl inter-actions. The crystal structure is further stabilized by an inter-molecular ?-? inter-action [centroid-centroid distance = 3.5744?(12)?Å].

| S-EPMC3254485 | biostudies-other

(1R,3S)-Methyl 3-[(S)-2-(hydroxy-diphenyl-meth-yl)pyrrolidin-1-ylmeth-yl]-2,2-dimethyl-cyclo-propane-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(25)H(31)NO(3), prepared from (-)-1R-cis-caronaldehyde, contains three independent mol-ecules with similar conformations. The hydr-oxy groups are involved in intra-molecular O-H?N hydrogen bonds. The crystal packing exhibits weak inter-molecular O-H?O and C-H?O hydrogen bonds.

| S-EPMC2970366 | 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