Synthesis and crystal structure of intramolecularly hydrogen-bonded 1-phenyl-2-phenylthio-2-(tetrahydropyran-2-ylthio)ethanol

被引：8

作者：

Kansikas, J

Sipila, K

Hase, T

机构：

[1] Laboratory of Inorganic Chemistry, Department of Chemistry, University of Helsinki, FIN-00014 Helsinki

[2] Laboratory of Organic Chemistry, Department of Chemistry, University of Helsinki, FIN-00014 Helsinki

来源：

ACTA CHEMICA SCANDINAVICA | 1996年 / 50卷 / 12期

关键词：

D O I：

10.3891/acta.chem.scand.50-1147

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The title compound (C19H22O2S2) 1 crystallizes as long colorless needles. The conformation of the molecule is similar to that of 1-phenylthio-1-(tetra-hydropyran-2-ylthio)propan-2-ol 2 [Kansikas, J. et al., Acta Chem. Scand. 49 (1995) 809]. The main difference is that 1 crystallizes in an acentric space group as a conglomerate of enantiomeric crystals and 2 in a centrosymmetric space group as a racemate. Compounds 1 and 2 both form an intramolecular hydrogen bond. Crystal data for 1: a=5.402(3), b=16.807(5) and c=19.814(6) Angstrom; space group P2(1)2(1)2(1), Z=4, M(r)=346.5, D-c=1.279 Mg m(-3), mu=0.30 mm(-1) and F(000)= 736. The data were collected at room temperature up to 53 degrees in 2 theta using Mo K alpha radiation. 1872 reflections were collected and 977 were regarded as observed [I>2.0 sigma(1)]. Full-matrix least-squares refinement converged to a conventional R-value of 0.0583 and wR-value of 0.0457. An intramolecular hydrogen bond O1-H ... O2 of 1.828 Angstrom with relative configurations S*, S*, and R* at atoms Cl, C2 and C15, respectively, affects the conformation of the molecule.

引用

页码：1147 / 1152

页数：6

共 7 条

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