Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 4,6-dimethyl-2-[(2,3,4,6-tetra-O-acetyl-β-d-galacto-pyranos-yl)sulfan-yl]pyrimidine.

ABSTRACT: In the title com-pound, C₂₀H₂₆N₂O₉S, the S atom is attached equatorially to the sugar ring. The C-S bond lengths are unequal, with S-C_s = 1.8018 (13) Å and S-C_p = 1.7662 (13) Å (s = sugar and p = pyrimid-yl). In the crystal, a system of three weak hydrogen bonds, sharing an oxygen acceptor, links the mol-ecules to form chains propagating parallel to the b-axis direction.

SUBMITTER: Abu-Zaied MA

PROVIDER: S-EPMC6895939 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-(2,3,4,6-Tetra-O-acetyl-?-d-gluco-pyranos-yl)-3-thio-ureidothio-urea monohydrate.

Project description:In the title compound, C(16)H(24)N(4)O(9)S(2)·H(2)O, the hexopyranosyl ring adopts a chair conformation ((4)C(1)), and the five substituents are in equatorial positions. In the crystal structure, extensive O-H?O, N-H?S and N-H?O hydrogen bonding leads to the formation of a three-dimensional network.

| S-EPMC2968307 | biostudies-literature

2,3,4,6-Tetra-O-acetyl-β-d-galacto-pyranosyl 2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl disulfide tetra-hydro-furan solvate.

Project description:The asymmetric unit of title compound, C(28)H(38)O(18)S(2)·C(4)H(8)O, comprises one disulfide-bridged sugar molecule and one solvent molecule. No significant differences in structural parameters are found between the present structure and the previously determined unsolvated form [Brito, López-Rodríguez, Bényei & Szilagyi (2006 ▶). Carbohydr. Res.341, 2967-2972]. The compounds are characterized by a compact structure with spatial proximity of the two pyranosyl rings. One of the carbonyl atoms is disordered over two sites [site occupancy = 0.69 (7) for major component] and the displacement parameters for the THF species are unsually large.

| S-EPMC2959895 | biostudies-literature

2,3,4,6-Tetra-O-acetyl-β-d-galacto-pyrano-syl butyrate.

Project description:The title compound, C(18)H(26)O(11), was synthesized by a condensation reaction of 2,3,4,6-tetra-O-acetyl-α-d-galactopyranosyl bromide and butyric acid. The acet-oxy-methyl and butyrate groups are located on the same side of the pyran ring, showing the β configuration for the d-glycosyl ester; the butyl group adopts an extend conformation, the C-C-C-C torsion angle being 179.1 (7)°. In the crystal, the mol-ecules are linked by weak C-H⋯O hydrogen bonds.

| S-EPMC3275009 | biostudies-literature

4,6-Bis[4-(benzyl-sulfan-yl)styr-yl]-2-(methyl-sulfan-yl)pyrimidine.

Project description:The title compound, C(35)H(30)N(2)S(3), has been synthesized by a solvent-free reaction. The mol-ecule exhibits an E,E configuration, the benzene rings and pyrimidine rings being located on the opposite sides of the C=C bonds. The centroid-centroid separation of 3.5808 (17) Å indicates the existence of π-π stacking between nearly parallel pyrimidine and benzene rings of adjacent mol-ecules.

| S-EPMC2915314 | biostudies-literature

1-[4-(2,3,4,6-Tetra-O-acetyl-β-d-allo-pyranos-yloxy)benzyl-idene]thio-semi-carbazide.

Project description:The title compound, C(22)H(27)N(3)O(10)S, was synthesized by reaction of an ethanol solution of helicid (systematic name: 4-formylphenl-β-d-allopyranoside), thio-semicarbazide and acetic acid. The mol-ecule exhibits a trans conformation with respect to the C=N double bond. The pyran ring adopts a chair conformation. In the crystal structure, the mol-ecules are linked into chains parallel to the b axis by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2968846 | biostudies-literature

2,3,4,6-Tetra-O-acetyl-β-d-galacto-pyranosyl 2-(2,4-dichloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-enecarbo-dithio-ate.

Project description:The cyclo-hexene ring in the title compound, C(29)H(33)Cl(2)NO(10)S(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.63 (1) Å from the plane through the other five ring atoms (r.m.s. deviation = 0.11 Å). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯S hydrogen bond. The crystal studied was a non-merohedral twin, with a minor twin component of 29%.

| S-EPMC2977784 | biostudies-literature

Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide.

Project description:Bis[2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)eth-yl]amine under hydro-thermal conditions has unexpectedly been transformed into the title compound, C(32)H(44)N(10)S(4). In the title mol-ecule, the zigzag 3,10-diaza-6,7-disulfanyldodecyl skeleton has two dimethyl-pyrimidinylsulfanyl groups at both ends, and the aza atoms each carry a dimethyl-pyrimidinyl unit. The N atoms in the skeleton show a planar coordination.

| S-EPMC2983405 | biostudies-literature

2-(1H-Imidazol-1-yl)-4,6-dimethyl-pyrimidine.

Project description:The asymmetric unit of the title compound, C(9)H(10)N(4), consists of two mol-ecules in which the dihedral angles between the planes of the imidazole and pyrimidine rings are 4.8?(1) and 2.1?(1)°.

| S-EPMC3247496 | biostudies-literature

4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidine.

Project description:The title compound, C(7)H(10)N(2)O(2)S, is essentially planar [maximum deviation 0.018?(4)?Å]. In the crystal, mol-ecules are linked into chains by C-H?N hydrogen bonds and the chains are arranged in layers parallel to the ab plane.

| S-EPMC2977336 | biostudies-other

Crystal structure of 4,6-bis-[(E)-4-bromo-styr-yl]-2-(butyl-sulfan-yl)pyrimidine.

Project description:In the title compound, C24H22Br2N2S, the dihedral angles between the central pyrimidine ring and the pendant bromo-benzene rings are 11.02?(11) and 13.20?(12)°. The butyl side chain adopts a gauche conformation [C-C-C-C = -67.4?(4)°]. In the crystal, weak aromatic ?-? stacking is observed between the pyrimidine ring and one of the benzene rings [centroid-centroid separation = 3.6718?(17)?Å].

| S-EPMC4257452 | 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