Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 6-de-oxy-6-iodo-?-d-galactoside.

ABSTRACT: In the crystal of the title compound, C(7)H(13)IO(5), the molecules are linked by O-H?O hydrogen bonds, which build linkages around one screw axis of the cell. These C(5) and C(6) packing motifs expand to R(2) (2)(10) and C(2) (2)(11) motifs and are similar to those found for closely related compounds. The galactoside ring has a (1)C(4) chair conformation.

SUBMITTER: Gulab SA

PROVIDER: S-EPMC3007047 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 6-de-oxy-6-iodo-α-d-galactoside.

Gulab Shivali A SA Cheng Janice M H JM Timmer Mattie S M MS Stocker Bridget L BL Gainsford Graeme J GJ

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

In the crystal of the title compound, C(7)H(13)IO(5), the molecules are linked by O-H⋯O hydrogen bonds, which build linkages around one screw axis of the cell. These C(5) and C(6) packing motifs expand to R(2) (2)(10) and C(2) (2)(11) motifs and are similar to those found for closely related compounds. The galactoside ring has a (1)C(4) chair conformation. ...[more]

PMID: 21587941

Similar Datasets

Methyl 6-azido-6-de-oxy-?-d-galactoside.

Project description:The structure of the title compound, C(7)H(13)N(3)O(5), was solved using data from a multiple fragment crystal. The galactoside ring adopts a (4)C(1) chair conformation. In the crystal, the molecules are linked by strong O-H?O hydrogen bonds, which build linkages around the screw axis of the cell in a similar way to the iodo analogue. These C-5 and C-6 packing motifs expand to R(2) (2)(10), C(2) (2)(7) and C(2) (2) (2)(8) motifs, as found in closely related compounds.

| S-EPMC3212328 | biostudies-other

40-De-oxy-40(S)-iodo-rapamycin.

Project description:The title compound, C(51)H(78)INO(12), contains a 29-membered ring incorporating amide, lactone and ester groups. It contains a total of 15 stereogenic centres. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming C(8) chains propagating in [100]. A weak intra-molecular O-H?O inter-action also occurs.

| S-EPMC3414270 | biostudies-literature

Methyl 6-de-oxy-6-iodo-2,3-O-iso-propyl-idene-?-d-manno-pyran-oside.

Project description:In the title compound, C10H17IO5, the six-membered tetra-hydro-pyran ring and the five-membered 1,3-dioxolane ring adopt sofa and envelope conformations, respectively. In the crystal, O-H?O and C-H?O hydrogen bonds link the mol-ecules into layers nearly parallel to the bc plane.

| S-EPMC3884490 | biostudies-literature

Methyl 5-iodo-2-meth-oxy-benzoate.

Project description:In the title compound, C9H9IO3, the mol-ecules are close to planar [maximum deviation from benzene ring plane = 0.229 (5) Å for the methyl carboxylate C atom] with the methyl groups oriented away from each other. In the crystal, mol-ecules form stacked layers parallel to the ab plane, where every layer has either the iodine or meth-oxy/methyl carboxyl-ate substituents pointing towards each other in an alternating fashion.

| S-EPMC3998619 | biostudies-literature

8-Iodo-5,7-dimeth-oxy-4-methyl-2H-chromen-2-one.

Project description:In the title compound, C(12)H(11)IO(4), the C and O atoms of both meth-oxy groups lie very close to the mean plane of the six C atoms of the benzene ring. The O and C atoms of the group lying closest to the I atom are 0.012 (3) and 0.022 (4) Å, respectively, out of the mean plane. For the other meth-oxy group, the corresponding distances are 0.020 (3) and 0.078 (4) Å. In the crystal, there are only very weak inter-molecular C-H⋯O hydrogen bonds and O⋯I contacts [3.080 (2) Å]. The mol-ecules are approximately parallel to (100), forming a layered structure.

| S-EPMC3099918 | biostudies-literature

2-Iodo-3-meth-oxy-6-methyl-pyridine.

Project description:The title compound, C(7)H(8)INO, which crystallizes with three independent mol-ecules in the asymmetric unit, was prepared by the reaction of 3-meth-oxy-6-methyl-pyridine with KI and I(2) in tetra-hydro-furan solution. In the crystal structure, the three independent mol-ecules are arranged in a similar orientation with the three polar meth-oxy groups aligned on one side and the three non-polar methyl groups on the other side. The three mol-ecules, excluding methyl H atoms, are essentially planar, with r.m.s. deviations of 0.0141?(1), 0.0081?(1) and 0.0066?(2)Å. The three pyridine rings make dihedral angles of 58.09?(3) 66.64?(4) and 71.5?(3)°. The crystal structure features rather weak inter-molecular C-H?O hydrogen bonds, which link two mol-ecules into dimers, and short I?N contacts [4.046?(3)?Å].

| S-EPMC2971865 | biostudies-other

2-{(E)-[(3-Iodo-4-methyl-phen-yl)imino]-meth-yl}-4-(trifluoro-meth-oxy)phenol.

Project description:The title compound, C(15)H(11)F(3)INO(2), adopts the enol-imine tautomeric form. The mol-ecule displays an E conformation with respect to the imine C=N double bond. The dihedral angle between the two benzene rings is 12.4 (2)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond, which generates an S(6) ring motif. The trifluoro-meth-oxy-phenyl group is disordered over two sites with an occupancy ratio of 0.621 (6):0.379 (6). The crystal structure features C-H⋯π inter-actions.

| S-EPMC3393956 | biostudies-literature

2-(4-Iodo-phen-oxy)acetamide.

Project description:The mol-ecule of the title compound, C(8)H(8)INO(2), amide-typical resonance shortens the nominal C-N single bond to 1.322?(7)?Å. In the crystal, hydrogen bonds involving both nitro-gen-bound H atoms as well as C-H?O contacts connect the mol-ecules into double layers approximately perpendicular to the crystallographic b axis. No ?-stacking is apparent in the crystal structure.

| S-EPMC3212316 | biostudies-literature

(20S)-22-Iodo-methyl-6β-meth-oxy-3α,5-dihydro-3'H-cyclo-propa[3α,5]-5α-pregnane.

Project description:In the title steroid derivative, C(23)H(37)IO, the fused cyclo-propane unit that comprises part of the A ring has a β-configuration, and the associated cyclo-pentane ring has an envelope conformation.

| S-EPMC2981155 | biostudies-literature

1,3-Bis(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)-2,2-bis-[(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)meth-yl]propane.

Project description:In the crystal structure of the title compound, C29H8F16I4O4, short I⋯I and I⋯F contacts, which can be understood as halogen bonds (XBs), represent the strongest inter-molecular inter-actions, consistent with the presence of I and F atoms, and the absence of H atoms, at the periphery of the mol-ecule. In addition, π-π stacking inter-actions between tetra-fluoro-iodo-phenyl (TFIP) groups and five short F⋯F inter-actions are present.

| S-EPMC3629626 | 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