Trimethyltin Hydroxide: A Crystallographic and High Z′ Curiosity

被引：18
作者：
Anderson, Kirsty M. [1 ]
Tallentire, Sarah E. [1 ]
Probert, Michael R. [1 ]
Goeta, Andres E. [1 ]
Mendis, Budhika G. [1 ]
Steed, Jonathan W. [1 ]
机构：
[1] Univ Durham, Dept Chem, Durham DH1 3LE, England
来源：
CRYSTAL GROWTH & DESIGN | 2011年 / 11卷 / 03期
基金：
英国工程与自然科学研究理事会;
关键词：
CAMBRIDGE STRUCTURAL DATABASE; RESOLUTION SN-119 NMR; GREATER-THAN; CRYSTAL-STRUCTURES; ASYMMETRIC UNIT; MULTIPLE MOLECULES; SINGLE-CRYSTAL; PACKING; Z'-GREATER-THAN-1; RADIATION;
D O I：
10.1021/cg101464j
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The remarkable room temperature structure of trimethyltin hydroxide comprises a total of 32 crystallographically independent SnMe3OH units arranged in four independent coordination polymer strands. We suggest that a Z' = 4 value is more appropriate than Z' = 32, reflecting the polymeric structure of the compound. DSC, single crystal and XRPD studies show that on cooling below ca. 160 K the structure undergoes a first order phase change to a symmetric Z' = 1 structure with just one crystallographically unique SnMe3OH unit. The phase change is reversible, and on warming past 176 K the high Z' structure is regenerated, in an endothermic transition. The Z' = 1 and 4 structures are an enantiotropic pair, and trimethyltin hydroxide represents a case where the higher Z' structure is the most stable form at high temperature with the high Z' value possibly arising from a consideration of the dynamics of the crystal as a whole.
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收藏
页码：820 / 826
页数：7
相关论文
共 52 条
[1]   The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].
Allen, FH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388
[2]   Supramolecular synthon frustration leads to crystal structures with Z′>1 [J].
Anderson, Kirsty M. ;
Goeta, Andres E. ;
Steed, Jonathan W. .
CRYSTAL GROWTH & DESIGN, 2008, 8 (07) :2517-2524
[3]   Comment on "On the presence of multiple molecules in the crystal asymmetric unit (Z′ > 1)'' by Gautam R.!Desiraju, CrystEngComm, 2007, 9, 91 [J].
Anderson, Kirsty M. ;
Steed, Jonathan W. .
CRYSTENGCOMM, 2007, 9 (04) :328-330
[4]   When Z′=2 is better than Z′=1-supramolecular centrosymmetric hydrogen-bonded dimers in chiral systems [J].
Anderson, Kirsty M. ;
Afarinkia, Kamyar ;
Yu, Hiu-wan ;
Goeta, Andres E. ;
Steed, Jonathan W. .
CRYSTAL GROWTH & DESIGN, 2006, 6 (09) :2109-2113
[5]   Unusual variations in the incidence of Z′ > 1 in oxo-anion structures [J].
Anderson, Kirsty M. ;
Goeta, Andres E. ;
Hancock, Kirsty S. B. ;
Steed, Jonathan W. .
CHEMICAL COMMUNICATIONS, 2006, (20) :2138-2140
[6]   Size does matter-the contribution of molecular volume, shape and flexibility to the formation of co-crystals and structures with Z′ > 1 [J].
Anderson, Kirsty M. ;
Probert, Michael R. ;
Goeta, Andres E. ;
Steed, Jonathan W. .
CRYSTENGCOMM, 2011, 13 (01) :83-87
[7]   Designing Co-Crystals of Pharmaceutically Relevant Compounds That Crystallize with Z′ > 1 [J].
Anderson, Kirsty M. ;
Probert, Michael R. ;
Whiteley, Christopher N. ;
Rowland, Adrian M. ;
Goeta, Andres E. ;
Steed, Jonathan W. .
CRYSTAL GROWTH & DESIGN, 2009, 9 (02) :1082-1087
[8]   A study of the known and hypothetical crystal structures of pyridine: why are there four molecules in the asymmetric unit cell? [J].
Anghel, AT ;
Day, GM ;
Price, SL .
CRYSTENGCOMM, 2002, 4 :348-355
[9]   Multiple Z′ in carboxylic acid-pyridine trimer synthon and Kagome lattice in the structure of 5-methylpyrazine-2,3-dicarboxylic acid [J].
Babu, N. Jagadeesh ;
Nangia, Ashwini .
CRYSTAL GROWTH & DESIGN, 2006, 6 (09) :1995-1999
[10]   Polymorphic perversity: Crystal structures with many symmetry-independent molecules in the unit cell [J].
Bernstein, J. ;
Dunitz, J. D. ;
Gavezzotti, A. .
CRYSTAL GROWTH & DESIGN, 2008, 8 (06) :2011-2018
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