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1-(2,3-Di-O-acetyl-4-chloro-4-de-oxy-6-O-tosyl-?-d-galactopyranos-yl)propan-2-one methanol 0.25-solvate.

ABSTRACT: The asymmetric unit of the title solvate, C(20)H(25)ClO(9)S·0.25CH(3)OH, contains one galactopyranosyl derivative and one-quarter of a methanol solvent mol-ecule. The galactopyran-ose ring is in the usual (4)C(1) conformation, and the anomeric center of the sugar has a ? configuration. The value of ? (3.44°) and the range of torsion angles [or 53.1?(5)-63.0?(5)°] reflect a slight distortion of the (4)C(1) pyran-ose ring. A minor orientational disorder affects a carbonyl group, which was modeled with two sites for the O atom having occupancies of 0.79?(5) and 0.21?(5). The crystal studied exhibited inversion twinning.

SUBMITTER: Yan L

PROVIDER: S-EPMC2962180 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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1-(2,3-Di-O-acetyl-4-chloro-4-de-oxy-6-O-tosyl-β-d-galactopyranos-yl)propan-2-one methanol 0.25-solvate.

Yan Lin L Liu Feng-Wu FW Liu Hong-Min HM

Acta crystallographica. Section E, Structure reports online 20080719 Pt 8

The asymmetric unit of the title solvate, C(20)H(25)ClO(9)S·0.25CH(3)OH, contains one galactopyranosyl derivative and one-quarter of a methanol solvent mol-ecule. The galactopyran-ose ring is in the usual (4)C(1) conformation, and the anomeric center of the sugar has a β configuration. The value of θ (3.44°) and the range of torsion angles [or 53.1 (5)-63.0 (5)°] reflect a slight distortion of the (4)C(1) pyran-ose ring. A minor orientational disorder affects a carbonyl group, which was modeled ...[more]

PMID: 21203261

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