Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1RS,2RS,3RS)-1,2-Dimeth-oxy-3-methyl-2-phenyl-1-(2-thien-yl)cyclo-propane.

ABSTRACT: In the title compound, C(16)H(18)O(2)S, a new cis-1,2-dimethoxy-cyclo-propane, the two meth-oxy groups are in a cis configuration and in trans positions with respect to the H atom and the phenyl and thienyl rings on the cyclo-propyl group. The mol-ecular packing is dominated by weak inter-molecular C-H?O inter-actions, allowing the formation of zigzag chains propagating parallel to the c axis. The dihedral angle between the aromatic rings is 86.12?(8)°.

SUBMITTER: Torre-Fernandez L

PROVIDER: S-EPMC2969068 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1RS,2RS,3RS)-1,2-Dimeth-oxy-3-methyl-2-phenyl-1-(2-thien-yl)cyclo-propane.

Torre-Fernández Laura L Suero Marcos G MG García-Granda Santiago S

Acta crystallographica. Section E, Structure reports online 20090319 Pt 4

In the title compound, C(16)H(18)O(2)S, a new cis-1,2-dimethoxy-cyclo-propane, the two meth-oxy groups are in a cis configuration and in trans positions with respect to the H atom and the phenyl and thienyl rings on the cyclo-propyl group. The mol-ecular packing is dominated by weak inter-molecular C-H⋯O inter-actions, allowing the formation of zigzag chains propagating parallel to the c axis. The dihedral angle between the aromatic rings is 86.12 (8)°. ...[more]

PMID: 21582532

Similar Datasets

6,6'-Dimeth-oxy-2,2'-[(cyclo-hexane-1,2-di-yl)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O(4), has two azomethine linkages, both of which are in an E configuration. The cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the benzene rings is 66.57?(9)°. The mol-ecular structure is stabilized by two intra-molecular O-H?N hydrogen bonds.

| S-EPMC3008137 | biostudies-literature

{6,6'-Dimeth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II) monohydrate.

Project description:In the title compound, [Cu(C22H24N2O4)]·H2O, the Cu(II) atom is four-coordinated in a distorted planar geometry with a mean deviation of 0.1164?(2)?Å for the plane generated by the ligating atoms of the salen-type Schiff base ligand. In the crystal, O(water)-H?O and C-H?O hydrogen bonds form a three-dimensional-network.

| S-EPMC3588720 | biostudies-literature

Bis{?-4,4'-dimeth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}bis-({4,4'-dimeth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol}manganese(III)) bis-(hexa-fluorido-phosphate).

Project description:In the title complex, [Mn(2)(C(19)H(20)N(2)O(4))(2)(C(19)H(22)N(2)O(4))(2)](PF(6))(2), the Mn(III) ion is coordinated by two O [Mn-O = 1.855?(2) and 1.887?(2)?Å] and two N [Mn-N = 1.982?(3) and 1.977?(3)?Å] atoms from the tetra-dentate Schiff base ligand and a coordinated axial ligand [Mn-O = 2.129?(2)?Å]. The centrosymmetric dimer contains two Jahn-Teller-distorted Mn(III) ions, each in a nearly octa-hedral geometry, connected through two phenolate bridges from two ligands. There are two stereogenic centers. The methyl group and the H atom attached to the middle propane C atom are disordered over two positions with occupancy factors in the ratio 0.58:0.42. The crystal is therefore a mixture of two diasteroisomers, viz. RS/SR and RR/SS. In the axial ligand, the two benzene rings form a dihedral angle of 56.97?(5)° and the dihedral angle between the two MnNC(3)O chelate rings is 2.98?(12)°

| S-EPMC2977226 | biostudies-other

6',7'-Dimeth-oxy-1',2'-dihydro-spiro-[cyclo-hexane-1,2'-quinazolin]-4'(3'H)-one.

Project description:In the title compound, C(15)H(20)N(2)O(3), prepared from the reaction of 2-amino-4,5-dimeth-oxy-benzonitrile and cyclo-hexa-none, the six-membered diaza ring assumes an envelope conformation. In the crystal, inversion dimers are formed by pairs of N-H?O hydrogen bonds. Futher N-H?O hydrogen bonds link the dimers into a two-dimensional structure parallel to (001).

| S-EPMC3239030 | biostudies-literature

Tetra-kis(?-3,4-dimeth-oxy-phenyl-acetato)-bis-[(3,4-dimeth-oxy-phenyl-acetato)(1,10-phenanthroline)holmium(III)].

Project description:In the centrosymmetric title compound, [Ho(2)(C(10)H(11)O(4))(6)(C(12)H(8)N(2))(2)], the Ho(III) atom is nine-coordinated by seven O atoms from the 3,4-dimeth-oxy-phenyl-acetate (L) anions and two N atoms from a 1,10-phenanthroline (phen) mol-ecule. The L ligands are coordinated to the Ho(III) ions in three modes: chelating, bridging and bridging-tridentate. Intra-molecular C-H?O inter-actions occur. The crystal packing is stabilized by inter-molecular C-H?O inter-actions and weak aromatic ?-? inter-actions between phen mol-ecules and the aromatic rings of the L ligands [centroid-centroid distance = 3.821?(2)?Å].

| S-EPMC2983278 | biostudies-literature

1-Benzoyl-N-phenyl-cyclo-propane-carboxamide.

Project description:The title compound, C(17)H(15)NO(2), was synthesized by reaction of 1,2-dibromo-ethane with 1-benzoyl-N-phenyl-cyclo-propane-carboxamide and K(2)CO(3) in dimethyl-formamide. The mol-ecule exhibits a V-shaped conformation in the crystal with a dihedral angle of 88.7?(3)° between the two benzene rings. Pairs of N-H?O hydrogen bonds link the mol-ecules into dimers about centres of inversion.

| S-EPMC2959514 | biostudies-literature

(1RS,2RS)-4,4'-(1-Aza-niumyl-2-hy-droxy-ethane-1,2-di-yl)dipyridinium tetra-chlorido-platinate(II) chloride.

Project description:The title compound, (C12H16N3O)[PtCl4]Cl, consists of a 4,4'-(1-aza-niumyl-2-hy-droxy-ethane-1,2-di-yl)dipyridinium trication, a square-planar tetra-chloridoplatinate(II) dianion and a chloride ion. In the cation, the pyridinium rings attached to the central 1-aza-niumyl-2-hy-droxy-ethane fragment have an anti conformation, as indicated by the central C-C-C-C torsion angle of -166.5?(6)°, and they are inclined to one another by 63.5?(4)°. In the crystal, the cations and anions are linked through N-H?Cl and O-H?Cl hydrogen bonds. There are also ?-? contacts [centroid-centroid distances = 3.671?(4) and 3.851?(4)?Å] and a number of C-H?Cl inter-actions present, consolidating the formation of a three-dimensional supra-molecular structure.

| S-EPMC3588516 | biostudies-literature

6,7-Dimeth-oxy-2,4-di-phenyl-quinoline.

Project description:In the title structure of the title compound, C23H19NO2, two conformationally similar mol-ecules (A and B) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25?(8)° in mol-ecule A and 70.39?(9)° in mol-ecule B. In the crystal, the independent mol-ecules are connected by C-H?O hydrogen bonds and the resulting dimeric aggregates are linked by ?-? [inter-centroid distance = 3.7370?(8)?Å] and C-H?? inter-actions, forming a three-dimensional architecture.

| S-EPMC3998322 | biostudies-literature

{?-6,6'-Dimeth-oxy-2,2'-[1,2-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenolato}methano-lcopper(II)sodium(I).

Project description:In the title complex, [NaCu(C(22)H(18)N(2)O(4))Cl(CH(3)OH)], the Cu atom lies nearly in the plane defined by the N(2)O(2) core of donor atoms, the out-of-plane distance being 0.001?(2)?Å. The anion provides a planar cavity of four O atoms which accommodates a sodium cation. The coordination geometry around sodium is completed by the methanol O atom and a chloride ion. The four O atoms define a coordination plane containing the sodium cation [maximum displacement from the mean plane through the five atoms = 0.152?(3)?Å for Na]. The crystal structure is stabilized by inter-molecular C-H?Cl and O-H?Cl hydrogen bonds, which link the mol-ecules into dimers. The crystal packing is further stabilized by weak ?-? stacking inter-actions [centroid-centroid distances of 3.442?(4), 3.482?(3), 3.350?(2), 3.531?(4) 3.575?(2) and 3.604?(2)?Å].

| S-EPMC2961150 | biostudies-literature

Aqua-cyanido{6,6'-dimeth-oxy-2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]diphenolato}cobalt(III) acetonitrile hemisolvate.

Project description:In the title complex, [Co(C(22)H(18)N(2)O(4))(CN)(H(2)O)]·0.5CH(3)CN, the Co(III) cation is N,N',O,O'-chelated by a 6,6'-dimeth-oxy-2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]diphenolate dianion, and is further coordinated by a cyanide anion and a water mol-ecule in the axial sites, completing a distorted octa-hedral coordination geometry. In the crystal, pairs of bifurcated O-H?(O,O) hydrogen bonds link adjacent mol-ecules, forming centrosymmetric dimers. The acetonitrile solvent mol-ecule shows 0.5 occupancy.

| S-EPMC3254326 | 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