Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dimethyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

ABSTRACT: The two naphthyl fused-ring systems in the title compound, C(22)H(26)O(6), are aligned at 86.7 (1)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

SUBMITTER: Mustafa A

PROVIDER: S-EPMC2968943 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dimethyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Mustafa Asra A Shah Muhammad Raza MR Khatoon Maimoona M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090328 Pt 4

The two naphthyl fused-ring systems in the title compound, C(22)H(26)O(6), are aligned at 86.7 (1)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21582614

Similar Datasets

Di-tert-butyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:In the crystal structure of the title compound, C(32)H(34)O(6), the mol-ecule is located on a twofold rotation axis. The two naphthyl fused-ring systems are aligned at 72.6 (1)°. Weak intermolecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968877 | biostudies-literature

Dimethyl 2,2'-[2,2'-bi(1H-1,3-benzimidazole)-1,1'-di-yl]diacetate.

Project description:The whole mol-ecule of the title compound, C(20)H(18)N(4)O(4), is generated by an inversion center. The benzimidazole ring mean plane make a dihedral angle of 89.4 (8)° with the plane passing through the acetate group (COO). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.743 (3) Å] involving inversion-related benzimidazole groups.

| S-EPMC3414963 | biostudies-literature

rac-N,N'-Dimethyl-N,N'-(1,1'-binaphthyl-2,2'-di-yl)diformamide.

Project description:The mol-ecule of the title compound, C(24)H(20)N(2)O(2), lies on a twofold rotation axis that relates one 2-(N-methyl-formamido)-naphthyl unit to the other. The N-methyl-formamido substituent is twisted by 54.9?(1)° with respect to the naphthalene fused-ring system; the two fused-ring systems are themselves twisted by 70.3?(1)°.

| S-EPMC3238889 | biostudies-other

Dimethyl 2,2'-(p-phenyl-enedi-oxy)-diacetate.

Project description:The title compound, C(12)H(14)O(6), was prepared by the Williamson reaction of 1,4-dihydroxy-benzene and methyl chloro-acetate with phase-transfer catalysis. The compound lies on an inversion center. The structure is stabilized by weak C-H⋯π inter-actions.

| S-EPMC2968197 | biostudies-literature

(R)-Di-tert-butyl 1,1'-binaphthyl-2,2'-dicarboxyl-ate.

Project description:The crystal structure of the title compound, C(30)H(30)O(4), comprises two crystallographically independent half-mol-ecules which are completed by crystallographic twofold symmetry. The dihedral angles between the naphthalene ring planes are 85.83 (3) and 83.69 (3)° for the two molecules. The atoms of the tert-butyl group of one mol-ecule are disordered over two sets of sites with occupancies of 0.60:0.40. The crystal packing is achieved via π-π stacking inter-actions between the naphthyl groups of adjacent mol-ecules, with a separation of 3.790 (1) Å between the centroids of the rings.

| S-EPMC2968339 | biostudies-literature

catena-Poly[[diaquazinc(II)]-μ(3)-2,2'-dihydr-oxy-1,1'-binaphthyl-3,3'-di-carboxyl-ato-κO:O':O''].

Project description:In the title coordination complex, [Zn(C(22)H(12)O(6))(H(2)O)(2)](n) or [Zn(H(2)nba)(H(2)O)(2)](n) (H(2)nba is 2,2'-dihydr-oxy-1,1'-bi-naph-thyl-3,3'-dicarboxyl-ate), the Zn(II) atom is coordinated by three H(2)nba ligands and two water molecules, resulting in a distorted trigonal-bipyramidal geometry. In the crystal structure, adjacent Zn(II) atoms are linked by two H(2)nba ligands, forming one-dimensional ribbons along the c axis. These ribbons are further assembled into layers parallel to the bc plane via O-H⋯O hydrogen bonds.

| S-EPMC2980019 | biostudies-literature

Dimethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-di-yl)di-oxy]diacetate: a less densely packed polymorph.

Project description:The title mol-ecule, C(21)H(18)O(8), crystallizes in two crystal polymorphs, see also Nallasivam, Nethaji, Vembu & Jaswant [Acta Cryst. (2009), E65, o312-o313]. The main difference between the two polymorphs is in the conformation of the oxomethyl-acetate groups with regard to the almost planar [total puckering amplitude 0.047 (2) Å] chromene ring. In the title compound, the best planes of the oxomethyl-acetate groups through the non-H atoms are almost perpendicular to the chromene ring [making dihedral angles of 89.61 (6) and 80.59 (5)°], while in the second polymorph the mol-ecules are close to planar. Both crystal structures are stabilized by C-H⋯O.

| S-EPMC2968320 | biostudies-literature

Di-tert-Butyl 2,2'-[2,2'-methyl-enebis(naphthalene-2,1-diyldi-oxy)]diacetate.

Project description:In the title compound, C(33)H(36)O(6), two naphthalene ring systems are connected through a methyl-ene linkage [C-C-C = 114.9 (2)°]; the ring systems are aligned at an angle of 76.5 (1)°. Of the two -O-CH(2)-C(=O)-C(CH(3))(3) substituents, one adopts an extended conformation whereas the other is U-shaped. In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonding, forming supra-molecular chains running along the c axis.

| S-EPMC3051626 | biostudies-literature

Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate.

Project description:The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methyl-ene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered mol-ecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two mol-ecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°].

| S-EPMC3052126 | biostudies-literature

Triethyl-ammonium 1,1'-binaphthyl-2,2'-diyl phosphate.

Project description:In the crystal structure of the title compound, C(6)H(16)N(+)·C(20)H(12)O(4)P(-), an N-H⋯O inter-action links the cation to the anion. The N atom in the triethyl-ammonium cation exhibits a trigonal-bipyramidal coordination geometry and forms an N-H⋯O inter-action with one phosphate O atom of the 1,1'-binaphthyl-2,2'-diyl phosphate ligand. A bifurcated C-H⋯O inter-action with the other phosphate O atom links molecules along the a axis. The dihedral angle between the two naphthyl ring systems is 58.92 (3)°. The refined Flack parameter value of 0.50 (10) indicates inversion twinning.

| S-EPMC3006757 | 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