Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Na R

PROVIDER: S-EPMC2969564 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Na Risong R Wang Min M

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

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]. ...[more]

PMID: 21583098

Similar Datasets

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

Project description: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)°.

| S-EPMC3569760 | biostudies-literature

(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

(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

(E)-3-(2-Chloro-3,3,3-trifluoro-prop-1-en-yl)-2,2-dimethyl-N,N-diphenyl-cyclo-propane-carboxamide.

Project description:The title compound, C(21)H(19)ClF(3)NO, was synthesized from 3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-en-yl]-2,2-dimethyl-cyclo-propane-carboxylic acid and diphenyl-amine. The propenyl and carboxamide substituents lie on the same side of the cyclo-propane ring plane, with the two methyl substituents on either side of the plane. The phenyl rings of the carboxamide are inclined at an angle of 84.6 (3)° to one another. The F atoms are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

| S-EPMC2914980 | biostudies-literature

(1R,3S)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3-dimethyl-urea).

Project description:In the mol-ecule of the title compound, C(14)H(20)N(4)O(3), the five-membered ring adopts an envelope conformation with the O atom displaced by 0.207 (3) Å from the plane of the other ring atoms. Intra-molecular C-H⋯O hydrogen bonds result in the formation of three five-membered rings having envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(20) ring motifs, which produce two-dimensional polymeric sheets extending along the b axis. There are also two C-H⋯π inter-actions. The H atoms of one of the methyl groups are disordered over two positions and were refined with occupancies of 0.50.

| S-EPMC2967959 | biostudies-literature

{(1R,3S)-2-Benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl}diphenyl-methanol.

Project description:In the title compound, C(37)H(35)NO(3), a precursor to novel chiral catalysts, the N-containing six-membered ring assumes a half-chair conformation. Inter-molecular C-H?O hydrogen bonds link the mol-ecules in the crystal structure.

| S-EPMC2983732 | 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

catena-Poly[[[bis-(N,N-dimethyl-formamide)iron(II)]-{μ-2,2'-bis-(diphenyl-phosphino-yl)-N,N'-[(1R,2R)-cyclo-hexane-1,2-di-yl]dibenzamide}] bis-(perchlorate) N,N-dimethyl-formamide disolvate].

Project description:The title extended solid coordination compound, {[Fe(C(44)H(40)N(2)O(4)P(2))(C(3)H(7)NO)(2)](ClO(4))(2)·2C(3)H(7)NO}(n), was crystallized un-ex-pectedly from the reaction mixture containing the Trost ligand (1R,2R)-(+)-1,2-diamino-cyclo-hexane-N,N'-bis-(2'-di-phenyl-phosphinobenzo-yl) and Fe(ClO(4))(2)·6H(2)O in a 1:1 ratio in dimethyl-formamide (DMF) under reflux conditions. The polymeric complex is characterized by Fe(II) metal centers that are coordinated by two oxidized Trost ligands, each coordinated in a bidentate fashion in a square plane, along with two DMF mol-ecules above and below the plane [average Fe-O(DMF) = 2.086 (4) Å], forming an overall pseudo-octa-hedral geometry. The Trost ligand binds adjacent Fe(II) centers, each Fe(II) being bound through the O atom of one of the phosphine oxides [average Fe-O(PPh2) = 2.115 (4) Å] and the carbonyl O atom of the adjacent amide [average Fe-O(amide) = 2.192 (3) Å]. Disorder is observed in the co-solvated solvent: there are two DMF mol-ecules per Fe(II) centre, which were modeled as one DMF mol-ecule with complete occupancy and the other being modeled in two positions with equal occupancy. Disorder was also observed with one of the perchlorate anions, which was modeled in two positions with 0.75:0.25 occupancy.

| S-EPMC2971940 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-2,2-diphenyl-acetamide.

Project description:In the title compound, C(22)H(21)NO, the dihedral angle between the phenyl rings is 82.59?(7)°. The dimethyl-benzene ring forms dihedral angles of 52.86?(4) and 49.65?(5)° with the two phenyl rings. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming a C(4) chain along the c axis. The crystal also features C-H?? inter-actions.

| S-EPMC3344437 | biostudies-literature

Acrinathrin: (S)-cyano-(3-phen-oxy-phenyl)methyl (Z)-(1R,3S)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoro-methyl)eth-oxy-carbon-yl]vin-yl}cyclo-propane-1-carboxyl-ate.

Project description:In the title compound, C(26)H(21)F(6)NO(5), the dihedral angle between the cyclo-propane ring plane and the vinyl group plane is 79.3?(3)°. The dihedral angle between the benzene and phenyl ring planes in the phen-oxy-benzyl group is 82.7?(1)°. In the crystal structure, weak inter-molecular C-H?? inter-actions and C-H?F hydrogen bonds contribute to the stabilization of the packing.

| S-EPMC3089073 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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