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Crystal structure of 1,2,3,5-di-O-methyl-ene-?-d-xylo-furan-ose.

ABSTRACT: The title compound, C7H10O5, was synthesized by reaction of d-xylose with paraformaldehyde. In the crystal, the central part of the mol-ecule consists of a five-membered C4O ring with an envelope conformation, with the methine C atom adjacent to the O atom being the flap. The protected O atoms of both cyclic acetal groups are oriented so that the four chiral C atoms of the furan-ose part show an R configuration. C-H?O hydrogen bonds are present between adjacent mol-ecules, generating a three-dimensional network.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC4645044 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 1,2,3,5-di-O-methyl-ene-α-d-xylo-furan-ose.

Tiritiris Ioannis I Tussetschläger Stefan S Kantlehner Willi W

Acta crystallographica. Section E, Crystallographic communications 20151028 Pt 11

The title compound, C7H10O5, was synthesized by reaction of d-xylose with paraformaldehyde. In the crystal, the central part of the mol-ecule consists of a five-membered C4O ring with an envelope conformation, with the methine C atom adjacent to the O atom being the flap. The protected O atoms of both cyclic acetal groups are oriented so that the four chiral C atoms of the furan-ose part show an R configuration. C-H⋯O hydrogen bonds are present between adjacent mol-ecules, generating a three-dim ...[more]

PMID: 26594582

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Project description:The title compound, C8H12O6, was synthesized by de-acetyl-ation of 6-acetyl-1,2,3,4-di-O-methyl-ene-α-d-galactose with sodium methoxide. The central part of the mol-ecule consists of a six-membered C5O pyran-ose ring with a twist-boat conformation. Both fused dioxolane rings adopt an envelope conformation with C and O atoms as the flap. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds are present between adjacent mol-ecules, generating a three-dimensional network.

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N-Benzyl-6-de-oxy-3,6-imino-methyl-ene-1,2,3,5-O-tetra-acetyl-?-d-1(S)-epiallo-furan-ose.

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Crystal structure of 3-de-oxy-3-nitro-methyl-1,2;5,6-di-O-iso-propyl-idene-?-d-allo-furan-ose.

Project description:The title compound, C13H21NO7 {systematic name: (3aR,5S,6R,6aR)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nitro-meth-yl)tetra-hydro-furo[2,3-d][1,3]dioxole}, consists of a substituted 2,2-di-methyl-tetra-hydro-furo[2,3-d][1,3]dioxolane skeleton. The furan-ose ring A adopts a (o)T 4 conformation. The fused dioxolane ring B and the substituent dioxolane ring C also have twisted conformations. There are no strong hydrogen bonds in the crystal structure: only weak C-H?O contacts are present, which link the mol-ecules to form a three-dimensional structure.

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Crystal structure of 6-de-oxy-α-l-psico-furan-ose.

Project description:The title compound, C6H12O5, was crystallized from an aqueous solution of 6-de-oxy-l-psicose (6-de-oxy-l-allulose, (3S,4S,5S)-1,3,4,5-tetra-hydroxy-hexan-2-one), and the mol-ecule was confirmed as α-furan-ose with a (3) T 4 (or E 4) conformation, which is a predominant tautomer in solution. This five-membered furan-ose ring structure is the second example in the field of the 6-de-oxy-ketohexose family. The cell volume of the title compound [742.67 (7) Å(3), Z = 4 at room temperature] is only 1.4% smaller than that of β-d-psico-pyran-ose, C6H12O6 (753.056 Å(3), Z = 4 at room temperature).

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1,2:5,6-Di-O-iso-propyl-idene-3-C-methyl-?-d-allo-furan-ose.

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Crystal structure of 3-C-(N-benzyl-oxy-carbon-yl)amino-methyl-3-de-oxy-1,2:5,6-di-O-iso-propyl-idene-?-d-allo-furan-ose.

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Crystal structure of N'-[4-(di-methyl-amino)-benzyl-idene]furan-2-carbohydrazide monohydrate.

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Crystal structure of 3-(3,4-di-methyl-anilino)-2-benzo-furan-1(3H)-one.

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Crystal structure of the di-Mannich base 4,4'-di-chloro-3,3',5,5'-tetra-methyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:The title compound, C21H26Cl2N2O2, was prepared in a solvent-free microwave-assisted synthesis, and crystallizes in the ortho-rhom-bic space group Pna21. The imidazolidine ring adopts an envelope conformation and its mean plane is almost perpendicular to the two pendant aromatic rings [dihedral angles = 84.61?(9) and 86.54?(9)°]. The mol-ecular structure shows the presence of two intra-molecular O-H?N hydrogen bonds between the phenolic hy-droxy groups and imidazolidine N atoms. The two 3-chloro-6-hy-droxy-2,4-di-methyl-benzyl groups are located in a cis orientation with respect to the imidazolidine fragment. As a result, the lone pairs of electrons on the N atoms are presumed to be disposed in a syn conformation. This is therefore the first example of an exception to the 'rabbit-ears' effect in such 2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol derivatives.

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5-Methyl-1,3-phenyl-ene bis-[5-(di-methyl-amino)-naphthalene-1-sulfonate]: crystal structure and DFT calculations.

Project description:The title compound, C31H30N2S2O6, possesses crystallographically imposed twofold symmetry with the two C atoms of the central benzene ring and the C atom of its methyl substituent lying on the twofold rotation axis. The two dansyl groups are twisted away from the plane of methyl-phenyl bridging unit in opposite directions. The three-dimensional arrangement in the crystal is mainly stabilized by weak hydrogen bonds between the sulfonyl oxygen atoms and the hydrogen atoms from the N-methyl groups. Stacking of the dansyl group is not observed. From the DFT calculations, the HOMO-LUMO energy gap was found to be 2.99?eV and indicates n??* and ???* transitions within the mol-ecule.

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