S=O ••• S=O INTERACTIONS AS A DRIVING FORCE FOR LOW-TEMPERATURE CONFORMATIONAL REARRANGEMENT OF STABLE H-BONDING {S(O)-CH2-CH2-OH•••}2 SYNTHON IN TWO MODIFICATIONS OF DIASTEREOMERIC PINANYL SULFOXIDES CO-CRYSTAL

被引：10

作者：

Lodochnikova, Olga A. ^{[1
]}

Krivolapov, Dmitry B. ^{[1
]}

Startseva, Valeriya A. ^{[2
]}

Nikitina, Liliya E. ^{[2
]}

Bodrov, Andrei V. ^{[2
]}

Artemova, Nadezhda P. ^{[2
]}

Klochkov, Vladimir V. ^{[3
]}

Madzhidov, Timur I. ^{[4
]}

Chmutova, Galina A. ^{[4
]}

Litvinov, Igor A. ^{[1
]}

机构：

[1] Russian Acad Sci, Kazan Sci Ctr, AE Arbuzov Inst Organ & Phys Chem, Kazan, Russia

[2] Kazan State Med Univ, Dept Gen & Organ Chem, Kazan, Russia

[3] Kazan Volga Reg Fed Univ, Inst Phys, Kazan, Russia

[4] Kazan Volga Reg Fed Univ, Butlerov Inst Chem, Kazan, Russia

来源：

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS | 2015年 / 190卷 / 12期

基金：

俄罗斯基础研究基金会;

关键词：

beta-Hydroxy sulfoxide; (-)-beta-pinene; racemic compound-like" crystallization; hydrogen-bonded cyclic dimers; polymorphic modifications; low-temperature X-ray structural analysis; PHASE-TRANSITIONS; STRUCTURAL DISTORTION; CRYSTALLIZATION;

D O I：

10.1080/10426507.2015.1072185

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

For the triclinic and monoclinic modifications of diastereomeric pinanyl sulfoxides co-crystal, remarkable alterations in unit cell parameters by transition from 293 to 150 ? were ascertained. Such alterations are accompanied by conformational restructuring of a stable hydrogen-bonded synthon from an unfolded to a folded form. The driving force of this restructuring is the tendency to form S=O center dot center dot center dot S=O interactions, which show up in the low-temperature phases of both polymorphs. These are well-supported by the methods of quantum chemistry (DFT, B97-D/6-31G(d,p), AIM All).

引用

页码：2222 / 2231

页数：10